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

12
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 147.0
[M+Na]+ 199.05903 160.9
[M-H]- 175.06253 149.6
[M+NH4]+ 194.10363 159.4
[M+K]+ 215.03297 154.4
[M+H-H2O]+ 159.06707 138.5
[M+HCOO]- 221.06801 167.8
[M+CH3COO]- 235.08366 159.4
[M+Na-2H]- 197.04448 153.8
[M]+ 176.06926 149.8
[M]- 176.07036 149.8
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