CID 443736

5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H6N4O5
SMILES
C1(=NC(=O)NC1(C(=O)O)O)NC(=O)N
InChI
InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)
InChIKey
WHKYNCPIXMNTRQ-UHFFFAOYSA-N
Compound name
4-(carbamoylamino)-5-hydroxy-2-oxo-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

60
Patents

202.03381 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04109 137.0
[M+Na]+ 225.02303 144.5
[M-H]- 201.02653 134.5
[M+NH4]+ 220.06763 153.9
[M+K]+ 240.99697 143.1
[M+H-H2O]+ 185.03107 131.5
[M+HCOO]- 247.03201 156.0
[M+CH3COO]- 261.04766 178.4
[M+Na-2H]- 223.00848 140.2
[M]+ 202.03326 132.3
[M]- 202.03436 132.3
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