CID 205080

Anthranilic acid, n-(p-butylphenyl)-

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CCCCC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H19NO2/c1-2-3-6-13-9-11-14(12-10-13)18-16-8-5-4-7-15(16)17(19)20/h4-5,7-12,18H,2-3,6H2,1H3,(H,19,20)

InChIKey

YUOMTVZNEZTSIA-UHFFFAOYSA-N

Compound name

2-(4-butylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.14157 Da
Monoisotopic Mass: 6.2
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]+	270.148846	163.3
[M+Na]+	292.130788	169.0
[M-H]-	268.134294	168.4
[M+NH4]+	287.175393	178.5
[M+K]+	308.104728	164.5
[M+H-H2O]+	252.138830	155.5
[M+HCOO]-	314.139771	185.8
[M+CH3COO]-	328.155421	199.8
[M+Na-2H]-	290.116236	167.0
[M]+	269.14102142	163.1
[M]-	269.14211858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe