CID 1174125

2-[(4-ethoxyphenyl)amino]nicotinic acid

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C14H14N2O3/c1-2-19-11-7-5-10(6-8-11)16-13-12(14(17)18)4-3-9-15-13/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKey
XDQXIFDNJLJUPZ-UHFFFAOYSA-N
Compound name
2-(4-ethoxyanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.10043 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.3
[M+Na]+ 281.08965 171.2
[M+NH4]+ 276.13425 165.1
[M+K]+ 297.06359 165.1
[M-H]- 257.09315 161.4
[M+Na-2H]- 279.07510 166.3
[M]+ 258.09988 160.8
[M]- 258.10098 160.8
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