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 171.4
[M+Na]+ 319.15292 177.6
[M-H]- 295.15642 174.5
[M+NH4]+ 314.19752 182.4
[M+K]+ 335.12686 170.7
[M+H-H2O]+ 279.16096 159.8
[M+HCOO]- 341.16190 184.1
[M+CH3COO]- 355.17755 179.9
[M+Na-2H]- 317.13837 173.1
[M]+ 296.16315 164.6
[M]- 296.16425 164.6
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.