CID 43244627

3-(2-chloropropanamido)-n-methylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₂

SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)NC)Cl

InChI

InChI=1S/C11H13ClN2O2/c1-7(12)10(15)14-9-5-3-4-8(6-9)11(16)13-2/h3-7H,1-2H3,(H,13,16)(H,14,15)

InChIKey

CAVHJFJDIDFZJH-UHFFFAOYSA-N

Compound name

3-(2-chloropropanoylamino)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.06656 Da
Monoisotopic Mass: 1.4
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]+	241.073836	152.8
[M+Na]+	263.055778	159.2
[M-H]-	239.059284	156.4
[M+NH4]+	258.100383	170.6
[M+K]+	279.029718	156.1
[M+H-H2O]+	223.063820	147.3
[M+HCOO]-	285.064761	172.2
[M+CH3COO]-	299.080411	195.7
[M+Na-2H]-	261.041226	155.6
[M]+	240.06601142	153.9
[M]-	240.06710858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.