CID 5092119

2-(2-chloroacetamido)-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C17H17ClN2O2
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCl
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-7-3-2-4-8-13)19-17(22)14-9-5-6-10-15(14)20-16(21)11-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKey
RSUKRTMPULBUSI-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09787 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10515 173.5
[M+Na]+ 339.08709 178.6
[M-H]- 315.09059 179.7
[M+NH4]+ 334.13169 187.7
[M+K]+ 355.06103 173.6
[M+H-H2O]+ 299.09513 166.0
[M+HCOO]- 361.09607 192.3
[M+CH3COO]- 375.11172 209.5
[M+Na-2H]- 337.07254 175.9
[M]+ 316.09732 174.5
[M]- 316.09842 174.5
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.