CID 64258792

4-[(2-tert-butylphenyl)amino]benzoic acid

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC(C)(C)C1=CC=CC=C1NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H19NO2/c1-17(2,3)14-6-4-5-7-15(14)18-13-10-8-12(9-11-13)16(19)20/h4-11,18H,1-3H3,(H,19,20)
InChIKey
WHYYJFNISYKBKI-UHFFFAOYSA-N
Compound name
4-(2-tert-butylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.