CID 3040083

N-(2-butyl-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

CCCCC1=C(C2=CC=CC=C2C=C1)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-3-8-16-14-13-15-9-4-5-10-17(15)20(16)22-19-12-7-6-11-18(19)21(23)24/h4-7,9-14,22H,2-3,8H2,1H3,(H,23,24)

InChIKey

YSEKONKPOCWDGO-UHFFFAOYSA-N

Compound name

2-[(2-butylnaphthalen-1-yl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.15723 Da
Monoisotopic Mass: 6.7
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]+	320.164506	176.4
[M+Na]+	342.146448	182.5
[M-H]-	318.149954	182.3
[M+NH4]+	337.191053	190.5
[M+K]+	358.120388	176.6
[M+H-H2O]+	302.154490	167.8
[M+HCOO]-	364.155431	197.1
[M+CH3COO]-	378.171081	210.8
[M+Na-2H]-	340.131896	180.5
[M]+	319.15668142	176.6
[M]-	319.15777858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.