CID 20115971

2-(2-carbamoylphenoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)N)OC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C13H10N2O4/c14-11(16)8-4-1-2-6-10(8)19-12-9(13(17)18)5-3-7-15-12/h1-7H,(H2,14,16)(H,17,18)
InChIKey
RLPBZHNPAOMDKT-UHFFFAOYSA-N
Compound name
2-(2-carbamoylphenoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.8
[M+Na]+ 281.05328 162.0
[M-H]- 257.05678 158.9
[M+NH4]+ 276.09788 168.5
[M+K]+ 297.02722 159.1
[M+H-H2O]+ 241.06132 146.5
[M+HCOO]- 303.06226 176.3
[M+CH3COO]- 317.07791 194.5
[M+Na-2H]- 279.03873 158.7
[M]+ 258.06351 154.3
[M]- 258.06461 154.3
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.