CID 6438112

Penten-3-one, 1-phenyl-5-(4-(2-pyridyl)piperazinyl)-,

Structural Information

Molecular Formula
C20H23N3O
SMILES
C1CN(CCN1CCC(=O)/C=C/C2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C20H23N3O/c24-19(10-9-18-6-2-1-3-7-18)11-13-22-14-16-23(17-15-22)20-8-4-5-12-21-20/h1-10,12H,11,13-17H2/b10-9+
InChIKey
VXCUXAQPTKJOCT-MDZDMXLPSA-N
Compound name
(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 179.9
[M+Na]+ 344.173318 183.1
[M-H]- 320.176824 183.4
[M+NH4]+ 339.217923 188.5
[M+K]+ 360.147258 176.7
[M+H-H2O]+ 304.181360 167.5
[M+HCOO]- 366.182301 194.5
[M+CH3COO]- 380.197951 187.5
[M+Na-2H]- 342.158766 182.3
[M]+ 321.18355142 174.9
[M]- 321.18464858 174.9
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.