CID 5315130

Dihydrouric acid

Structural Information

Molecular Formula
C5H4N4O3
SMILES
C12C(=NC(=O)N1)C(=O)NC(=O)N2
InChI
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h2H,(H,7,11)(H2,8,9,10,12)
InChIKey
WUULEPWXSYAKLV-UHFFFAOYSA-N
Compound name
4,9-dihydro-3H-purine-2,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

168.02834 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.035616 134.9
[M+Na]+ 191.017558 144.5
[M-H]- 167.021064 130.4
[M+NH4]+ 186.062163 150.7
[M+K]+ 206.991498 140.1
[M+H-H2O]+ 151.025600 128.0
[M+HCOO]- 213.026541 148.3
[M+CH3COO]- 227.042191 169.1
[M+Na-2H]- 189.003006 138.7
[M]+ 168.02779142 128.6
[M]- 168.02888858 128.6
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