CID 6438112

Brn 0826517

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]+ 322.19138 179.9
[M+Na]+ 344.17332 183.1
[M-H]- 320.17682 183.4
[M+NH4]+ 339.21792 188.5
[M+K]+ 360.14726 176.7
[M+H-H2O]+ 304.18136 167.5
[M+HCOO]- 366.18230 194.5
[M+CH3COO]- 380.19795 187.5
[M+Na-2H]- 342.15877 182.3
[M]+ 321.18355 174.9
[M]- 321.18465 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.