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]+ 317.105146 173.5
[M+Na]+ 339.087088 178.6
[M-H]- 315.090594 179.7
[M+NH4]+ 334.131693 187.7
[M+K]+ 355.061028 173.6
[M+H-H2O]+ 299.095130 166.0
[M+HCOO]- 361.096071 192.3
[M+CH3COO]- 375.111721 209.5
[M+Na-2H]- 337.072536 175.9
[M]+ 316.09732142 174.5
[M]- 316.09841858 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.