CID 4506

Nitrazepam

Structural Information

Molecular Formula

C₁₅H₁₁N₃O₃

SMILES

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)

InChIKey

KJONHKAYOJNZEC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1054
References: 23415
Patents: 281.08005 Da
Monoisotopic Mass: 2.2
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]+	282.08733	164.9
[M+Na]+	304.06927	178.2
[M+NH4]+	299.11387	171.5
[M+K]+	320.04321	174.7
[M-H]-	280.07277	168.9
[M+Na-2H]-	302.05472	172.0
[M]+	281.07950	167.9
[M]-	281.08060	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe