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: 22
Patents: 288.06656 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.073836	164.7
[M+Na]+	311.055778	171.8
[M-H]-	287.059284	171.0
[M+NH4]+	306.100383	180.1
[M+K]+	327.029718	166.4
[M+H-H2O]+	271.063820	157.7
[M+HCOO]-	333.064761	184.5
[M+CH3COO]-	347.080411	203.9
[M+Na-2H]-	309.041226	167.6
[M]+	288.06601142	165.0
[M]-	288.06710858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe