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

36
Patents

165.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 133.0
[M+Na]+ 188.04305 143.5
[M-H]- 164.04655 132.7
[M+NH4]+ 183.08765 152.1
[M+K]+ 204.01699 140.4
[M+H-H2O]+ 148.05109 126.2
[M+HCOO]- 210.05203 151.3
[M+CH3COO]- 224.06768 174.9
[M+Na-2H]- 186.02850 138.0
[M]+ 165.05328 131.2
[M]- 165.05438 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