CID 3264480

2-(4-aminobenzoyl)-2'-chloroacetanilide

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)C2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C15H13ClN2O2/c16-12-3-1-2-4-13(12)18-15(20)9-14(19)10-5-7-11(17)8-6-10/h1-8H,9,17H2,(H,18,20)
InChIKey
HNCOMANFPXOETH-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-N-(2-chlorophenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

288.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 164.7
[M+Na]+ 311.05578 171.8
[M-H]- 287.05928 171.0
[M+NH4]+ 306.10038 180.1
[M+K]+ 327.02972 166.4
[M+H-H2O]+ 271.06382 157.7
[M+HCOO]- 333.06476 184.5
[M+CH3COO]- 347.08041 203.9
[M+Na-2H]- 309.04123 167.6
[M]+ 288.06601 165.0
[M]- 288.06711 165.0
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

patents stripe