CID 180788

Ethyl 4-[(4-chlorobenzoyl)amino]benzoate

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₃

SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,19)

InChIKey

QVBAJPAHHIYXCI-UHFFFAOYSA-N

Compound name

ethyl 4-[(4-chlorobenzoyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 303.06622 Da
Monoisotopic Mass: 3.6
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]+	304.073496	167.2
[M+Na]+	326.055438	174.7
[M-H]-	302.058944	174.0
[M+NH4]+	321.100043	182.6
[M+K]+	342.029378	170.1
[M+H-H2O]+	286.063480	160.1
[M+HCOO]-	348.064421	186.5
[M+CH3COO]-	362.080071	203.8
[M+Na-2H]-	324.040886	170.3
[M]+	303.06567142	170.9
[M]-	303.06676858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe