CID 6435328

Ketone, 4-cinnamylpiperazinyl 3,4,5-trimethoxycinnamyl, 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]+ 437.243476 210.4
[M+Na]+ 459.225418 213.7
[M-H]- 435.228924 215.6
[M+NH4]+ 454.270023 216.4
[M+K]+ 475.199358 208.0
[M+H-H2O]+ 419.233460 198.0
[M+HCOO]- 481.234401 225.1
[M+CH3COO]- 495.250051 229.5
[M+Na-2H]- 457.210866 207.6
[M]+ 436.23565142 211.6
[M]- 436.23674858 211.6
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.