CID 9291154

2-(2-chloroacetamido)-n-(3-methylphenyl)benzamide

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCl

InChI

InChI=1S/C16H15ClN2O2/c1-11-5-4-6-12(9-11)18-16(21)13-7-2-3-8-14(13)19-15(20)10-17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)

InChIKey

IHDXUAZNCIQSAW-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)amino]-N-(3-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0822 Da
Monoisotopic Mass: 3.5
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]+	303.089476	169.0
[M+Na]+	325.071418	175.7
[M-H]-	301.074924	175.7
[M+NH4]+	320.116023	184.2
[M+K]+	341.045358	170.5
[M+H-H2O]+	285.079460	161.8
[M+HCOO]-	347.080401	189.1
[M+CH3COO]-	361.096051	206.8
[M+Na-2H]-	323.056866	172.4
[M]+	302.08165142	170.6
[M]-	302.08274858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.