CID 135457239

57121-52-5

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[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

164.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 132.0
[M+Na]+ 187.05903 146.4
[M+NH4]+ 182.10363 139.0
[M+K]+ 203.03297 142.7
[M-H]- 163.06253 131.4
[M+Na-2H]- 185.04448 137.9
[M]+ 164.06926 133.7
[M]- 164.07036 133.7
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