CID 15764

1824-69-7

Structural Information

Molecular Formula

C₁₅H₁₃ClN₂O

SMILES

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

InChI

InChI=1S/C15H13ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8,15,17H,9H2,(H,18,19)

InChIKey

GYQOYYFIHYKFEO-UHFFFAOYSA-N

Compound name

7-chloro-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 272.07166 Da
Monoisotopic Mass: 2.6
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]+	273.078936	159.7
[M+Na]+	295.060878	167.9
[M-H]-	271.064384	162.7
[M+NH4]+	290.105483	173.1
[M+K]+	311.034818	164.7
[M+H-H2O]+	255.068920	151.9
[M+HCOO]-	317.069861	170.9
[M+CH3COO]-	331.085511	169.7
[M+Na-2H]-	293.046326	164.6
[M]+	272.07111142	153.6
[M]-	272.07220858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe