CID 214598

33522-82-6

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=C(C=CC=N3)C(=O)O
InChI
InChI=1S/C18H14N2O2/c21-18(22)16-7-4-12-19-17(16)20-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12H,(H,19,20)(H,21,22)
InChIKey
YUXOECFNMNNHOV-UHFFFAOYSA-N
Compound name
2-(4-phenylanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 166.1
[M+Na]+ 313.094748 172.6
[M-H]- 289.098254 173.3
[M+NH4]+ 308.139353 178.4
[M+K]+ 329.068688 167.1
[M+H-H2O]+ 273.102790 156.4
[M+HCOO]- 335.103731 188.2
[M+CH3COO]- 349.119381 176.9
[M+Na-2H]- 311.080196 172.1
[M]+ 290.10498142 164.1
[M]- 290.10607858 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

No patent data available for this compound.