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[5,4-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]+ 255.124036 157.4
[M+Na]+ 277.105978 167.7
[M-H]- 253.109484 159.1
[M+NH4]+ 272.150583 171.0
[M+K]+ 293.079918 161.7
[M+H-H2O]+ 237.114020 147.6
[M+HCOO]- 299.114961 176.2
[M+CH3COO]- 313.130611 168.7
[M+Na-2H]- 275.091426 163.5
[M]+ 254.11621142 158.5
[M]- 254.11730858 158.5
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.