CID 135409160

3-(methylsulfonyl)-1h-pyrazolo[3,4-d]pyrimidine-4,6-diol

Structural Information

Molecular Formula
C6H6N4O4S
SMILES
CS(=O)(=O)C1=C2C(=NN1)NC(=O)NC2=O
InChI
InChI=1S/C6H6N4O4S/c1-15(13,14)5-2-3(9-10-5)7-6(12)8-4(2)11/h1H3,(H3,7,8,9,10,11,12)
InChIKey
SXSVIPUOKHLSNU-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01097 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01825 146.8
[M+Na]+ 253.00019 160.5
[M-H]- 229.00369 144.2
[M+NH4]+ 248.04479 161.3
[M+K]+ 268.97413 154.5
[M+H-H2O]+ 213.00823 141.4
[M+HCOO]- 275.00917 159.4
[M+CH3COO]- 289.02482 176.7
[M+Na-2H]- 250.98564 151.9
[M]+ 230.01042 148.9
[M]- 230.01152 148.9
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.