CID 135500938

33017-95-7

Structural Information

Molecular Formula
C17H20N4O
SMILES
C1CC2=C(C1)N=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C17H20N4O/c22-16-14-7-4-8-15(14)18-17(19-16)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,18,19,22)
InChIKey
GFJGWBGVLQJDFB-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.1637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 171.6
[M+Na]+ 319.15292 185.3
[M+NH4]+ 314.19752 179.0
[M+K]+ 335.12686 179.4
[M-H]- 295.15642 175.4
[M+Na-2H]- 317.13837 178.7
[M]+ 296.16315 174.4
[M]- 296.16425 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.