CID 307389

Ethyl 4-(3-chlorobenzamido)benzoate

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₃

SMILES

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

InChI

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

InChIKey

VTYASFGTEDMWAA-UHFFFAOYSA-N

Compound name

ethyl 4-[(3-chlorobenzoyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	304.07350	167.2
[M+Na]+	326.05544	174.7
[M-H]-	302.05894	174.0
[M+NH4]+	321.10004	182.6
[M+K]+	342.02938	170.1
[M+H-H2O]+	286.06348	160.1
[M+HCOO]-	348.06442	186.5
[M+CH3COO]-	362.08007	203.8
[M+Na-2H]-	324.04089	170.3
[M]+	303.06567	170.9
[M]-	303.06677	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe