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

3
Patents

269.14157 Da
Monoisotopic Mass

6.0
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

literature stripe

Patent stripe

patents stripe