CID 25572626

2-(2-chloroacetamido)-n-(propan-2-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O₂

SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)CCl

InChI

InChI=1S/C12H15ClN2O2/c1-8(2)14-12(17)9-5-3-4-6-10(9)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)

InChIKey

GGCQBQWEQNVUPJ-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.0822 Da
Monoisotopic Mass: 3.1
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]+	255.089476	157.5
[M+Na]+	277.071418	163.5
[M-H]-	253.074924	160.9
[M+NH4]+	272.116023	174.7
[M+K]+	293.045358	160.1
[M+H-H2O]+	237.079460	151.7
[M+HCOO]-	299.080401	176.5
[M+CH3COO]-	313.096051	198.7
[M+Na-2H]-	275.056866	159.7
[M]+	254.08165142	158.9
[M]-	254.08274858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.