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 148.0
[M+Na]+ 255.04887 155.6
[M-H]- 231.05237 149.6
[M+NH4]+ 250.09347 161.7
[M+K]+ 271.02281 152.6
[M+H-H2O]+ 215.05691 139.0
[M+HCOO]- 277.05785 168.5
[M+CH3COO]- 291.07350 186.8
[M+Na-2H]- 253.03432 151.7
[M]+ 232.05910 146.3
[M]- 232.06020 146.3
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

patents stripe