CID 59072

101895-15-2

Structural Information

Molecular Formula
C19H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H15NO2/c21-19(22)17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,20H,(H,21,22)
InChIKey
VSICPUMVMJXLOE-UHFFFAOYSA-N
Compound name
2-(4-phenylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

289.1103 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 166.3
[M+Na]+ 312.09952 172.4
[M-H]- 288.10302 174.7
[M+NH4]+ 307.14412 180.0
[M+K]+ 328.07346 166.9
[M+H-H2O]+ 272.10756 157.4
[M+HCOO]- 334.10850 189.3
[M+CH3COO]- 348.12415 177.4
[M+Na-2H]- 310.08497 171.5
[M]+ 289.10975 164.1
[M]- 289.11085 164.1
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

patents stripe