CID 9942242

1-methyl-1h,4h,5h,6h,7h-pyrazolo[4,3-d]pyrimidine-5,7-dione

Structural Information

Molecular Formula
C6H6N4O2
SMILES
CN1C2=C(C=N1)NC(=O)NC2=O
InChI
InChI=1S/C6H6N4O2/c1-10-4-3(2-7-10)8-6(12)9-5(4)11/h2H,1H3,(H2,8,9,11,12)
InChIKey
OAXSBZVGKPGEDJ-UHFFFAOYSA-N
Compound name
1-methyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

166.04907 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.056346 130.8
[M+Na]+ 189.038288 144.5
[M-H]- 165.041794 129.1
[M+NH4]+ 184.082893 148.2
[M+K]+ 205.012228 139.7
[M+H-H2O]+ 149.046330 123.8
[M+HCOO]- 211.047271 150.9
[M+CH3COO]- 225.062921 144.4
[M+Na-2H]- 187.023736 138.6
[M]+ 166.04852142 131.7
[M]- 166.04961858 131.7
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

patents stripe