CID 6437937

Piperazine, 1-phenyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C24H30N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H30N2O4/c1-28-22-17-19(18-23(29-2)24(22)30-3)9-10-21(27)11-12-25-13-15-26(16-14-25)20-7-5-4-6-8-20/h4-10,17-18H,11-16H2,1-3H3/b10-9+
InChIKey
DUPBQAPYYINGTQ-MDZDMXLPSA-N
Compound name
(E)-5-(4-phenylpiperazin-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

410.22055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 202.5
[M+Na]+ 433.20977 215.4
[M+NH4]+ 428.25437 207.8
[M+K]+ 449.18371 207.6
[M-H]- 409.21327 206.4
[M+Na-2H]- 431.19522 208.9
[M]+ 410.22000 205.3
[M]- 410.22110 205.3
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.