Metabolite 5-Acetylamino-6-formylamino-3-methyluracil

Name

5-Acetylamino-6-formylamino-3-methyluracil

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

LQW8YAU3VF

CAS number

Not Available

Weight

Average: 226.1894
Monoisotopic: 226.070204828

Chemical Formula

C₈H₁₀N₄O₄

InChI Key

RDZNZFGKEVDNPK-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)

IUPAC Name

N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

SMILES

CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-02aj-0920000000-16da22a4333f0fee7510
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0190000000-0fedcd106a41fd5a8be9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0690000000-6626c2bf8d14de0efe15
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-1960000000-b94cc28307c88b185ad4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-056u-1940000000-6ea9838ee36ef7c71fa4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-8900000000-577988c30dc16b78090f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004l-5900000000-216413aa66aa3cccf4a8

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	156.6754144	predicted	DarkChem Lite v0.1.0
[M-H]-	154.3791144	predicted	DarkChem Lite v0.1.0
[M-H]-	138.51193	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.2431144	predicted	DarkChem Lite v0.1.0
[M+H]+	153.8940144	predicted	DarkChem Lite v0.1.0
[M+H]+	140.90749	predicted	DeepCCS 1.0 (2019)
[M+Na]+	154.6363144	predicted	DarkChem Lite v0.1.0
[M+Na]+	153.4795144	predicted	DarkChem Lite v0.1.0
[M+Na]+	148.10214	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties