CID 6445514

Pyridine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H29N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C23H29N3O4/c1-28-20-16-18(17-21(29-2)23(20)30-3)7-8-19(27)9-11-25-12-14-26(15-13-25)22-6-4-5-10-24-22/h4-8,10,16-17H,9,11-15H2,1-3H3/b8-7+
InChIKey
ALCFMUGIUGQSEH-BQYQJAHWSA-N
Compound name
(E)-5-(4-pyridin-2-ylpiperazin-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

411.21582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 202.3
[M+Na]+ 434.20504 206.4
[M-H]- 410.20854 206.6
[M+NH4]+ 429.24964 207.9
[M+K]+ 450.17898 201.6
[M+H-H2O]+ 394.21308 189.5
[M+HCOO]- 456.21402 216.4
[M+CH3COO]- 470.22967 225.4
[M+Na-2H]- 432.19049 201.2
[M]+ 411.21527 203.8
[M]- 411.21637 203.8
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.