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]+ 270.148846 163.1
[M+Na]+ 292.130788 169.4
[M-H]- 268.134294 168.7
[M+NH4]+ 287.175393 178.6
[M+K]+ 308.104728 165.5
[M+H-H2O]+ 252.138830 156.1
[M+HCOO]- 314.139771 184.1
[M+CH3COO]- 328.155421 199.6
[M+Na-2H]- 290.116236 167.7
[M]+ 269.14102142 162.5
[M]- 269.14211858 162.5
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.