CID 81095

N-benzylanthranilic acid

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)

InChIKey

JGQKORRBYIBYOF-UHFFFAOYSA-N

Compound name

2-(benzylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 227.09464 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]+	228.10192	149.6
[M+Na]+	250.08386	155.7
[M-H]-	226.08736	154.9
[M+NH4]+	245.12846	166.2
[M+K]+	266.05780	151.9
[M+H-H2O]+	210.09190	142.2
[M+HCOO]-	272.09284	173.1
[M+CH3COO]-	286.10849	189.6
[M+Na-2H]-	248.06931	155.7
[M]+	227.09409	148.0
[M]-	227.09519	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe