CID 135608460

2-methyl-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine-5,7-dione

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CC1=NN2C(=O)CC(=O)NC2=C1
InChI
InChI=1S/C7H7N3O2/c1-4-2-5-8-6(11)3-7(12)10(5)9-4/h2H,3H2,1H3,(H,8,11)
InChIKey
PPOAIFZITAMTFV-UHFFFAOYSA-N
Compound name
2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

165.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 133.0
[M+Na]+ 188.043048 143.5
[M-H]- 164.046554 132.7
[M+NH4]+ 183.087653 152.1
[M+K]+ 204.016988 140.4
[M+H-H2O]+ 148.051090 126.2
[M+HCOO]- 210.052031 151.3
[M+CH3COO]- 224.067681 174.9
[M+Na-2H]- 186.028496 138.0
[M]+ 165.05328142 131.2
[M]- 165.05437858 131.2
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