CID 6445510

Piperazine, 1-o-anisyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrobromide

Structural Information

Molecular Formula
C25H32N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H32N2O5/c1-29-22-8-6-5-7-21(22)27-15-13-26(14-16-27)12-11-20(28)10-9-19-17-23(30-2)25(32-4)24(18-19)31-3/h5-10,17-18H,11-16H2,1-4H3/b10-9+
InChIKey
FIUZZQFXQLSJAC-MDZDMXLPSA-N
Compound name
(E)-5-[4-(2-methoxyphenyl)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

440.2311 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23838 209.3
[M+Na]+ 463.22032 213.2
[M-H]- 439.22382 215.0
[M+NH4]+ 458.26492 215.2
[M+K]+ 479.19426 209.1
[M+H-H2O]+ 423.22836 197.0
[M+HCOO]- 485.22930 224.2
[M+CH3COO]- 499.24495 231.9
[M+Na-2H]- 461.20577 206.5
[M]+ 440.23055 212.8
[M]- 440.23165 212.8
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.