CID 318129

2-{[2-(aminocarbonyl)anilino]carbonyl}benzoic acid

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₄

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2C(=O)N)C(=O)O

InChI

InChI=1S/C15H12N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)

InChIKey

IFOSTEFURZGGGV-UHFFFAOYSA-N

Compound name

2-[(2-carbamoylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 284.0797 Da
Monoisotopic Mass: 2.4
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]+	285.086976	162.8
[M+Na]+	307.068918	168.2
[M-H]-	283.072424	167.9
[M+NH4]+	302.113523	176.2
[M+K]+	323.042858	165.3
[M+H-H2O]+	267.076960	154.8
[M+HCOO]-	329.077901	185.1
[M+CH3COO]-	343.093551	202.7
[M+Na-2H]-	305.054366	164.6
[M]+	284.07915142	160.3
[M]-	284.08024858	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe