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

5634
Patents

152.03343 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.040706 126.7
[M+Na]+ 175.022648 139.4
[M-H]- 151.026154 123.4
[M+NH4]+ 170.067253 143.6
[M+K]+ 190.996588 134.1
[M+H-H2O]+ 135.030690 119.8
[M+HCOO]- 197.031631 145.6
[M+CH3COO]- 211.047281 139.6
[M+Na-2H]- 173.008096 135.3
[M]+ 152.03288142 125.0
[M]- 152.03397858 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

literature stripe

Patent stripe

patents stripe