CID 6437941

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

Structural Information

Molecular Formula
C24H29ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H29ClN2O4/c1-29-22-16-18(17-23(30-2)24(22)31-3)4-9-21(28)10-11-26-12-14-27(15-13-26)20-7-5-19(25)6-8-20/h4-9,16-17H,10-15H2,1-3H3/b9-4+
InChIKey
RGANYJNRKMSZDG-RUDMXATFSA-N
Compound name
(E)-5-[4-(4-chlorophenyl)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

444.18158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18886 207.9
[M+Na]+ 467.17080 221.9
[M+NH4]+ 462.21540 213.4
[M+K]+ 483.14474 213.4
[M-H]- 443.17430 211.9
[M+Na-2H]- 465.15625 214.1
[M]+ 444.18103 211.2
[M]- 444.18213 211.2
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.