CID 13756

Demoxepam

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2

InChIKey

PSADRZMLSXCSAS-UHFFFAOYSA-N

Compound name

7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 1974
Patents: 286.0509 Da
Monoisotopic Mass: 2.3
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]+	287.058176	160.6
[M+Na]+	309.040118	171.9
[M-H]-	285.043624	166.1
[M+NH4]+	304.084723	174.6
[M+K]+	325.014058	170.2
[M+H-H2O]+	269.048160	152.8
[M+HCOO]-	331.049101	176.1
[M+CH3COO]-	345.064751	172.5
[M+Na-2H]-	307.025566	167.2
[M]+	286.05035142	160.7
[M]-	286.05144858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe