CID 6435328

4-cinnamylpiperazinyl 3,4,5-trimethoxycinnamyl ketone maleate

Structural Information

Molecular Formula
C26H32N2O4
SMILES
COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C26H32N2O4/c1-30-23-15-14-22(25(31-2)26(23)32-3)12-7-13-24(29)28-19-17-27(18-20-28)16-8-11-21-9-5-4-6-10-21/h4-12,14-15H,13,16-20H2,1-3H3/b11-8+,12-7+
InChIKey
PDGHNBVWFGYWAN-NFLJZBCPSA-N
Compound name
(E)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24348 210.5
[M+Na]+ 459.22542 223.0
[M+NH4]+ 454.27002 215.1
[M+K]+ 475.19936 214.6
[M-H]- 435.22892 214.0
[M+Na-2H]- 457.21087 216.2
[M]+ 436.23565 213.0
[M]- 436.23675 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.