CID 96190

7-acetamidonitrazepam

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

CC(=O)NC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2/c1-11(21)19-13-7-8-15-14(9-13)17(18-10-16(22)20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)

InChIKey

JHTJXLGLYZQIGI-UHFFFAOYSA-N

Compound name

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 5
Patents: 293.11642 Da
Monoisotopic Mass: 1.6
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]+	294.123696	168.0
[M+Na]+	316.105638	174.4
[M-H]-	292.109144	173.0
[M+NH4]+	311.150243	179.9
[M+K]+	332.079578	173.9
[M+H-H2O]+	276.113680	159.4
[M+HCOO]-	338.114621	186.0
[M+CH3COO]-	352.130271	177.8
[M+Na-2H]-	314.091086	173.1
[M]+	293.11587142	163.1
[M]-	293.11696858	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe