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 202.3
[M+Na]+ 433.20977 206.0
[M-H]- 409.21327 207.8
[M+NH4]+ 428.25437 209.3
[M+K]+ 449.18371 201.3
[M+H-H2O]+ 393.21781 190.2
[M+HCOO]- 455.21875 217.5
[M+CH3COO]- 469.23440 225.6
[M+Na-2H]- 431.19522 200.5
[M]+ 410.22000 203.7
[M]- 410.22110 203.7
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.