CID 3052911

Brn 1127895

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC(CC1=CC=CC=C1)N2C=NC3=C(C2=O)C=NN3
InChI
InChI=1S/C14H14N4O/c1-10(7-11-5-3-2-4-6-11)18-9-15-13-12(14(18)19)8-16-17-13/h2-6,8-10H,7H2,1H3,(H,16,17)
InChIKey
GUBBTKWVWMOSSR-UHFFFAOYSA-N
Compound name
5-(1-phenylpropan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 156.7
[M+Na]+ 277.10598 171.9
[M+NH4]+ 272.15058 163.6
[M+K]+ 293.07992 166.8
[M-H]- 253.10948 158.4
[M+Na-2H]- 275.09143 164.9
[M]+ 254.11621 159.3
[M]- 254.11731 159.3
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

No patent data available for this compound.