CID 177746

16439-95-5

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O/c18-15-10-14(11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18)

InChIKey

SRZDVYZVEYALFB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 32
Patents: 236.09496 Da
Monoisotopic Mass: 2.4
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]+	237.10224	152.4
[M+Na]+	259.08418	159.7
[M-H]-	235.08768	157.2
[M+NH4]+	254.12878	166.7
[M+K]+	275.05812	158.3
[M+H-H2O]+	219.09222	144.6
[M+HCOO]-	281.09316	170.6
[M+CH3COO]-	295.10881	163.5
[M+Na-2H]-	257.06963	159.7
[M]+	236.09441	147.0
[M]-	236.09551	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe