CID 6445508

Piperazine, 1-phenethyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H34N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C26H34N2O4/c1-30-24-19-22(20-25(31-2)26(24)32-3)9-10-23(29)12-14-28-17-15-27(16-18-28)13-11-21-7-5-4-6-8-21/h4-10,19-20H,11-18H2,1-3H3/b10-9+
InChIKey
AWYKADCCBOVUAZ-MDZDMXLPSA-N
Compound name
(E)-5-[4-(2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.25186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25914 211.0
[M+Na]+ 461.24108 213.7
[M-H]- 437.24458 216.0
[M+NH4]+ 456.28568 216.8
[M+K]+ 477.21502 208.6
[M+H-H2O]+ 421.24912 198.4
[M+HCOO]- 483.25006 225.4
[M+CH3COO]- 497.26571 231.4
[M+Na-2H]- 459.22653 208.2
[M]+ 438.25131 213.0
[M]- 438.25241 213.0
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.