CID 135457239

1,6-dimethyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=NC2=C(C=NN2C)C(=O)N1
InChI
InChI=1S/C7H8N4O/c1-4-9-6-5(7(12)10-4)3-8-11(6)2/h3H,1-2H3,(H,9,10,12)
InChIKey
DMJHUIQXUFMHBF-UHFFFAOYSA-N
Compound name
1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

164.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 132.2
[M+Na]+ 187.059028 145.7
[M-H]- 163.062534 131.6
[M+NH4]+ 182.103633 150.5
[M+K]+ 203.032968 141.7
[M+H-H2O]+ 147.067070 124.8
[M+HCOO]- 209.068011 153.1
[M+CH3COO]- 223.083661 146.2
[M+Na-2H]- 185.044476 140.0
[M]+ 164.06926142 134.5
[M]- 164.07035858 134.5
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

patents stripe