CID 3061124

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

Structural Information

Molecular Formula
C9H7N3O4
SMILES
C1=COC=C1C(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C9H7N3O4/c10-7(13)6-8(12-4-11-6)16-9(14)5-1-2-15-3-5/h1-4H,(H2,10,13)(H,11,12)
InChIKey
GAJTVJLFWMPWPF-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.04366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05094 144.7
[M+Na]+ 244.03288 154.0
[M+NH4]+ 239.07748 149.6
[M+K]+ 260.00682 155.7
[M-H]- 220.03638 145.5
[M+Na-2H]- 242.01833 149.0
[M]+ 221.04311 145.7
[M]- 221.04421 145.7
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