CID 2997

Nordazepam

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

InChIKey

AKPLHCDWDRPJGD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 561
References: 7108
Patents: 270.056 Da
Monoisotopic Mass: 2.9
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]+	271.06328	158.2
[M+Na]+	293.04522	167.8
[M-H]-	269.04872	162.8
[M+NH4]+	288.08982	172.4
[M+K]+	309.01916	165.1
[M+H-H2O]+	253.05326	150.1
[M+HCOO]-	315.05420	172.1
[M+CH3COO]-	329.06985	169.3
[M+Na-2H]-	291.03067	164.4
[M]+	270.05545	155.1
[M]-	270.05655	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe