CID 9504009

53824-92-3

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CCl

InChI

InChI=1S/C16H15ClN2O2/c17-10-15(20)19-14-9-5-4-8-13(14)16(21)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20)

InChIKey

VRXUIZRKYOIVJF-UHFFFAOYSA-N

Compound name

N-benzyl-2-[(2-chloroacetyl)amino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 302.0822 Da
Monoisotopic Mass: 3.0
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]+	303.08948	168.9
[M+Na]+	325.07142	174.7
[M-H]-	301.07492	175.1
[M+NH4]+	320.11602	183.7
[M+K]+	341.04536	169.3
[M+H-H2O]+	285.07946	161.4
[M+HCOO]-	347.08040	189.0
[M+CH3COO]-	361.09605	205.6
[M+Na-2H]-	323.05687	173.0
[M]+	302.08165	170.1
[M]-	302.08275	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe