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[4,3-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

166.04907 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 130.8
[M+Na]+ 189.03829 144.5
[M-H]- 165.04179 129.1
[M+NH4]+ 184.08289 148.2
[M+K]+ 205.01223 139.7
[M+H-H2O]+ 149.04633 123.8
[M+HCOO]- 211.04727 150.9
[M+CH3COO]- 225.06292 144.4
[M+Na-2H]- 187.02374 138.6
[M]+ 166.04852 131.7
[M]- 166.04962 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