CID 9504009

N-benzyl-2-[(chloroacetyl)amino]benzamide

Structural Information

Molecular Formula
C16H15ClN2O2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CCl
InChI
InChI=1S/C16H15ClN2O2/c17-10-15(20)19-14-9-5-4-8-13(14)16(21)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKey
VRXUIZRKYOIVJF-UHFFFAOYSA-N
Compound name
N-benzyl-2-[(2-chloroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

302.0822 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08948 169.6
[M+Na]+ 325.07142 182.2
[M+NH4]+ 320.11602 177.2
[M+K]+ 341.04536 174.5
[M-H]- 301.07492 174.2
[M+Na-2H]- 323.05687 178.0
[M]+ 302.08165 172.8
[M]- 302.08275 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe