CID 69158

612-34-0

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C14H12N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)

InChIKey

FECNOIODIVNEKI-UHFFFAOYSA-N

Compound name

2-[(2-aminobenzoyl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5905
Patents: 256.08478 Da
Monoisotopic Mass: 3.4
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]+	257.092056	156.3
[M+Na]+	279.073998	162.4
[M-H]-	255.077504	161.6
[M+NH4]+	274.118603	171.2
[M+K]+	295.047938	159.0
[M+H-H2O]+	239.082040	148.7
[M+HCOO]-	301.082981	179.6
[M+CH3COO]-	315.098631	197.2
[M+Na-2H]-	277.059446	159.8
[M]+	256.08423142	153.5
[M]-	256.08532858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe