CID 135973583

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

Structural Information

Molecular Formula
C7H8N4O
SMILES
CCN1C2=C(C=N1)C(=O)NC=N2
InChI
InChI=1S/C7H8N4O/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12)
InChIKey
DKVJRZYMFJNVOD-UHFFFAOYSA-N
Compound name
1-ethyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.06981 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 131.7
[M+Na]+ 187.05903 145.8
[M+NH4]+ 182.10363 138.7
[M+K]+ 203.03297 141.9
[M-H]- 163.06253 131.0
[M+Na-2H]- 185.04448 137.9
[M]+ 164.06926 133.3
[M]- 164.07036 133.3
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