CID 6445504

Piperazine, 1-cyclohexyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C24H36N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3CCCCC3
InChI
InChI=1S/C24H36N2O4/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/h9-10,17-18,20H,4-8,11-16H2,1-3H3/b10-9+
InChIKey
VQGRXEKSEDMSRC-MDZDMXLPSA-N
Compound name
(E)-5-(4-cyclohexylpiperazin-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

416.26752 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.27480 205.5
[M+Na]+ 439.25674 206.2
[M-H]- 415.26024 209.8
[M+NH4]+ 434.30134 212.1
[M+K]+ 455.23068 202.1
[M+H-H2O]+ 399.26478 193.6
[M+HCOO]- 461.26572 216.4
[M+CH3COO]- 475.28137 226.8
[M+Na-2H]- 437.24219 200.9
[M]+ 416.26697 202.8
[M]- 416.26807 202.8
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.