CID 1174125

2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylic 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

3
Patents

258.10043 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.107706 157.0
[M+Na]+ 281.089648 163.9
[M-H]- 257.093154 161.2
[M+NH4]+ 276.134253 171.2
[M+K]+ 297.063588 160.5
[M+H-H2O]+ 241.097690 148.5
[M+HCOO]- 303.098631 179.4
[M+CH3COO]- 317.114281 195.6
[M+Na-2H]- 279.075096 162.5
[M]+ 258.09988142 157.7
[M]- 258.10097858 157.7
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