CID 353213

8-methyl-4-phenyl-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O/c1-11-7-8-13-15(9-11)18-16(19)10-14(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)

InChIKey

SCWDIXHHIUWDED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 250.11061 Da
Monoisotopic Mass: 2.8
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]+	251.117886	156.9
[M+Na]+	273.099828	164.7
[M-H]-	249.103334	161.9
[M+NH4]+	268.144433	171.0
[M+K]+	289.073768	163.2
[M+H-H2O]+	233.107870	149.1
[M+HCOO]-	295.108811	174.8
[M+CH3COO]-	309.124461	167.9
[M+Na-2H]-	271.085276	163.0
[M]+	250.11006142	152.3
[M]-	250.11115858	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.