CID 78641

7-aminonitrazepam

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

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

InChI

InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)

InChIKey

OYOUQHVDCKOOAL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 57
Patents: 251.10587 Da
Monoisotopic Mass: 1.0
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]+	252.11315	157.7
[M+Na]+	274.09509	170.1
[M+NH4]+	269.13969	164.9
[M+K]+	290.06903	164.2
[M-H]-	250.09859	161.4
[M+Na-2H]-	272.08054	165.4
[M]+	251.10532	160.5
[M]-	251.10642	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe