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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 152.8
[M+Na]+ 263.05578 159.2
[M-H]- 239.05928 156.4
[M+NH4]+ 258.10038 170.6
[M+K]+ 279.02972 156.1
[M+H-H2O]+ 223.06382 147.3
[M+HCOO]- 285.06476 172.2
[M+CH3COO]- 299.08041 195.7
[M+Na-2H]- 261.04123 155.6
[M]+ 240.06601 153.9
[M]- 240.06711 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.