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]+ 180.07675 137.6
[M+Na]+ 202.05869 148.6
[M-H]- 178.06219 137.5
[M+NH4]+ 197.10329 156.4
[M+K]+ 218.03263 145.2
[M+H-H2O]+ 162.06673 130.9
[M+HCOO]- 224.06767 155.5
[M+CH3COO]- 238.08332 179.2
[M+Na-2H]- 200.04414 141.3
[M]+ 179.06892 136.5
[M]- 179.07002 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.