CID 135398752

Oxypurinol

Structural Information

Molecular Formula
C5H4N4O2
SMILES
C1=NNC2=C1C(=O)NC(=O)N2
InChI
InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
HXNFUBHNUDHIGC-UHFFFAOYSA-N
Compound name
1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

645
References

5586
Patents

152.03343 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04071 126.7
[M+Na]+ 175.02265 139.4
[M-H]- 151.02615 123.4
[M+NH4]+ 170.06725 143.6
[M+K]+ 190.99659 134.1
[M+H-H2O]+ 135.03069 119.8
[M+HCOO]- 197.03163 145.6
[M+CH3COO]- 211.04728 139.6
[M+Na-2H]- 173.00810 135.3
[M]+ 152.03288 125.0
[M]- 152.03398 125.0
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

No patent data available for this compound.