CID 155

5-ureidoimidazole-4-carboxylate

Structural Information

Molecular Formula
C5H6N4O3
SMILES
C1=NC(=C(N1)C(=O)O)NC(=O)N
InChI
InChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)
InChIKey
PQSKWIHIUOGLHX-UHFFFAOYSA-N
Compound name
4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

170.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05127 132.4
[M+Na]+ 193.03321 139.4
[M-H]- 169.03671 130.9
[M+NH4]+ 188.07781 149.3
[M+K]+ 209.00715 137.8
[M+H-H2O]+ 153.04125 125.2
[M+HCOO]- 215.04219 153.8
[M+CH3COO]- 229.05784 176.0
[M+Na-2H]- 191.01866 136.0
[M]+ 170.04344 128.0
[M]- 170.04454 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe