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]+ 259.071336 154.8
[M+Na]+ 281.053278 162.0
[M-H]- 257.056784 158.9
[M+NH4]+ 276.097883 168.5
[M+K]+ 297.027218 159.1
[M+H-H2O]+ 241.061320 146.5
[M+HCOO]- 303.062261 176.3
[M+CH3COO]- 317.077911 194.5
[M+Na-2H]- 279.038726 158.7
[M]+ 258.06351142 154.3
[M]- 258.06460858 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.