Metabolite 2-hydroxyiminostilbene

Name

2-hydroxyiminostilbene

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

K78KH13GVF

CAS number

Not Available

Weight

Average: 209.2432
Monoisotopic: 209.084063979

Chemical Formula

C₁₄H₁₁NO

InChI Key

FKCUOSGTQJAUQX-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H

IUPAC Name

2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-6-ol

SMILES

OC1=CC=C2NC3=CC=CC=C3C=CC2=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-053u-0920000000-ed5d02869a23f3674fd7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-77f5e2fc6f1813d27ef5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0090000000-f5ad0c4dd9afadb17277
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-79d9f8a197c3b3c7b981
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0090000000-58cad9d399e02a7596a6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f89-0900000000-48a5e17c36039df18f14
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0v0r-0910000000-9358ee1a04e2c7bb94fc

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	152.5812934	predicted	DarkChem Lite v0.1.0
[M-H]-	147.39476	predicted	DeepCCS 1.0 (2019)
[M+H]+	153.2288934	predicted	DarkChem Lite v0.1.0
[M+H]+	149.75278	predicted	DeepCCS 1.0 (2019)
[M+Na]+	152.9146934	predicted	DarkChem Lite v0.1.0
[M+Na]+	156.17766	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties