CID 136264587

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

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1C(=O)NC2=CC(=NN2C1=O)C
InChI
InChI=1S/C8H9N3O2/c1-4-3-6-9-7(12)5(2)8(13)11(6)10-4/h3,5H,1-2H3,(H,9,12)
InChIKey
UABMKFNHZHACRX-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 137.6
[M+Na]+ 202.058688 148.6
[M-H]- 178.062194 137.5
[M+NH4]+ 197.103293 156.4
[M+K]+ 218.032628 145.2
[M+H-H2O]+ 162.066730 130.9
[M+HCOO]- 224.067671 155.5
[M+CH3COO]- 238.083321 179.2
[M+Na-2H]- 200.044136 141.3
[M]+ 179.06892142 136.5
[M]- 179.07001858 136.5
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.