CID 3063677

101398-16-7

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CNC(=O)CCl
InChI
InChI=1S/C17H14Cl2N2O3/c18-9-15(22)20-10-16(23)21-14-7-6-12(19)8-13(14)17(24)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,22)(H,21,23)
InChIKey
KNGMVRLBVYIMOK-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[(2-chloroacetyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.03815 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04543 180.5
[M+Na]+ 387.02737 187.1
[M-H]- 363.03087 186.4
[M+NH4]+ 382.07197 193.4
[M+K]+ 403.00131 181.0
[M+H-H2O]+ 347.03541 174.0
[M+HCOO]- 409.03635 194.7
[M+CH3COO]- 423.05200 216.2
[M+Na-2H]- 385.01282 181.7
[M]+ 364.03760 184.1
[M]- 364.03870 184.2
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.