CID 40113

Phenazepam

Structural Information

Molecular Formula

C₁₅H₁₀BrClN₂O

SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H10BrClN2O/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)

InChIKey

CGMJQQJSWIRRRL-UHFFFAOYSA-N

Compound name

7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 291
References: 1177
Patents: 347.9665 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	348.97378	165.2
[M+Na]+	370.95572	178.0
[M-H]-	346.95922	172.5
[M+NH4]+	366.00032	180.5
[M+K]+	386.92966	168.3
[M+H-H2O]+	330.96376	164.0
[M+HCOO]-	392.96470	177.3
[M+CH3COO]-	406.98035	177.8
[M+Na-2H]-	368.94117	171.8
[M]+	347.96595	180.3
[M]-	347.96705	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe