CID 3059909

4-pyridinecarboxylic acid, 5-(aminocarbonyl)-1h-imidazol-4-yl ester

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CN=CC=C1C(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C10H8N4O3/c11-8(15)7-9(14-5-13-7)17-10(16)6-1-3-12-4-2-6/h1-5H,(H2,11,15)(H,13,14)
InChIKey
XUMALMZIRYVIOM-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.05965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06693 148.8
[M+Na]+ 255.04887 158.9
[M+NH4]+ 250.09347 153.6
[M+K]+ 271.02281 157.6
[M-H]- 231.05237 148.6
[M+Na-2H]- 253.03432 154.4
[M]+ 232.05910 149.6
[M]- 232.06020 149.6
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