CID 38237

4699-82-5

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂O

SMILES

CC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)

InChIKey

SATGIBNNISQKBG-UHFFFAOYSA-N

Compound name

7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 284.07166 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]+	285.07894	163.0
[M+Na]+	307.06088	177.9
[M+NH4]+	302.10548	171.0
[M+K]+	323.03482	170.5
[M-H]-	283.06438	166.8
[M+Na-2H]-	305.04633	171.1
[M]+	284.07111	166.7
[M]-	284.07221	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe