CID 136559906

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

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1CC1N2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C8H8N4O/c13-8-6-3-11-12(5-1-2-5)7(6)9-4-10-8/h3-5H,1-2H2,(H,9,10,13)
InChIKey
TVLXJCPRTLLHEG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 140.3
[M+Na]+ 199.05903 155.8
[M+NH4]+ 194.10363 148.2
[M+K]+ 215.03297 152.6
[M-H]- 175.06253 147.9
[M+Na-2H]- 197.04448 149.5
[M]+ 176.06926 145.6
[M]- 176.07036 145.6
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