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]+ 291.11281 168.2
[M+Na]+ 313.09475 183.7
[M+NH4]+ 308.13935 176.1
[M+K]+ 329.06869 175.6
[M-H]- 289.09825 174.6
[M+Na-2H]- 311.08020 179.8
[M]+ 290.10498 172.3
[M]- 290.10608 172.3
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.