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 143.1
[M+Na]+ 244.03288 151.7
[M-H]- 220.03638 147.4
[M+NH4]+ 239.07748 159.2
[M+K]+ 260.00682 150.9
[M+H-H2O]+ 204.04092 135.6
[M+HCOO]- 266.04186 166.6
[M+CH3COO]- 280.05751 183.2
[M+Na-2H]- 242.01833 146.4
[M]+ 221.04311 144.7
[M]- 221.04421 144.7
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