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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08948 169.0
[M+Na]+ 325.07142 175.7
[M-H]- 301.07492 175.7
[M+NH4]+ 320.11602 184.2
[M+K]+ 341.04536 170.5
[M+H-H2O]+ 285.07946 161.8
[M+HCOO]- 347.08040 189.1
[M+CH3COO]- 361.09605 206.8
[M+Na-2H]- 323.05687 172.4
[M]+ 302.08165 170.6
[M]- 302.08275 170.6
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.