CID 205081

Anthranilic acid, n-(p-tert-butylphenyl)-

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

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

InChI

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

InChIKey

ZOXRANQMDRRBBA-UHFFFAOYSA-N

Compound name

2-(4-tert-butylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 269.14157 Da
Monoisotopic Mass: 6.0
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]+	270.14885	164.5
[M+Na]+	292.13079	177.2
[M+NH4]+	287.17539	172.0
[M+K]+	308.10473	170.8
[M-H]-	268.13429	168.3
[M+Na-2H]-	290.11624	172.6
[M]+	269.14102	167.4
[M]-	269.14212	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe