CID 43558265

Chembl4085543

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1=CC(=NC(=C1)C(=O)O)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C12H10N2O4/c15-11(13-7-8-3-2-6-18-8)9-4-1-5-10(14-9)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKey
IYIDPWVQPAKCNL-UHFFFAOYSA-N
Compound name
6-(furan-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.06406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 152.3
[M+Na]+ 269.05328 159.0
[M-H]- 245.05678 157.4
[M+NH4]+ 264.09788 167.1
[M+K]+ 285.02722 157.7
[M+H-H2O]+ 229.06132 144.6
[M+HCOO]- 291.06226 174.6
[M+CH3COO]- 305.07791 190.0
[M+Na-2H]- 267.03873 156.6
[M]+ 246.06351 153.3
[M]- 246.06461 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.