Metabolite Norflurazepam

Name

Norflurazepam

Description

Not Available

Structure

Similar Structures

Synonyms

N-desalkyl-2-oxoquazepam / N-desalkylflurazepam / Norfludiazepam

UNII

X9U41NXR6M

CAS number

2886-65-9

Weight

Average: 288.704
Monoisotopic: 288.046568864

Chemical Formula

C₁₅H₁₀ClFN₂O

InChI Key

UVCOILFBWYKHHB-UHFFFAOYSA-N

InChI

InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

IUPAC Name

7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

SMILES

FC1=CC=CC=C1C1=NCC(=O)NC2=C1C=C(Cl)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0ir1-1190000000-2bb7221cad85f7e5beff
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-37d03d0b90061c28ba58
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-9f306f90ed81287050c4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-c654ead0126c3a69a41e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ku-4090000000-6428f0fd2e53927e5855
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-02t9-0190000000-5c09ef29f3c3af809691
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9020000000-40ae24d3a44ac0fbdf87

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	163.1867182	predicted	DarkChem Lite v0.1.0
[M-H]-	160.19215	predicted	DeepCCS 1.0 (2019)
[M+H]+	164.0763182	predicted	DarkChem Lite v0.1.0
[M+H]+	162.58702	predicted	DeepCCS 1.0 (2019)
[M+Na]+	163.2605182	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.6433	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties