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

0
Patents

221.04366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.050936 143.1
[M+Na]+ 244.032878 151.7
[M-H]- 220.036384 147.4
[M+NH4]+ 239.077483 159.2
[M+K]+ 260.006818 150.9
[M+H-H2O]+ 204.040920 135.6
[M+HCOO]- 266.041861 166.6
[M+CH3COO]- 280.057511 183.2
[M+Na-2H]- 242.018326 146.4
[M]+ 221.04311142 144.7
[M]- 221.04420858 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