CID 564988

436088-75-4

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CC=NC(=C1)NC(=O)C2=C(NC=N2)C(=O)O
InChI
InChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15)
InChIKey
CXVUEKICGYNMBG-UHFFFAOYSA-N
Compound name
4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.05965 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06693 148.1
[M+Na]+ 255.04887 155.2
[M-H]- 231.05237 148.8
[M+NH4]+ 250.09347 161.3
[M+K]+ 271.02281 151.7
[M+H-H2O]+ 215.05691 139.3
[M+HCOO]- 277.05785 167.7
[M+CH3COO]- 291.07350 185.0
[M+Na-2H]- 253.03432 152.4
[M]+ 232.05910 145.5
[M]- 232.06020 145.5
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.