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

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 157.0
[M+Na]+ 281.08965 163.9
[M-H]- 257.09315 161.2
[M+NH4]+ 276.13425 171.2
[M+K]+ 297.06359 160.5
[M+H-H2O]+ 241.09769 148.5
[M+HCOO]- 303.09863 179.4
[M+CH3COO]- 317.11428 195.6
[M+Na-2H]- 279.07510 162.5
[M]+ 258.09988 157.7
[M]- 258.10098 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