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]+ 297.170976 171.4
[M+Na]+ 319.152918 177.6
[M-H]- 295.156424 174.5
[M+NH4]+ 314.197523 182.4
[M+K]+ 335.126858 170.7
[M+H-H2O]+ 279.160960 159.8
[M+HCOO]- 341.161901 184.1
[M+CH3COO]- 355.177551 179.9
[M+Na-2H]- 317.138366 173.1
[M]+ 296.16315142 164.6
[M]- 296.16424858 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.