CID 3791842

1-(3-phenylpropyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium chloride

Structural Information

Molecular Formula
C24H34N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)CCCC3=CC=CC=C3
InChI
InChI=1S/C24H34N2O3/c1-27-22-18-21(19-23(28-2)24(22)29-3)11-13-26-16-14-25(15-17-26)12-7-10-20-8-5-4-6-9-20/h4-6,8-9,18-19H,7,10-17H2,1-3H3
InChIKey
JUWIFXYLWHIVDY-UHFFFAOYSA-N
Compound name
1-(3-phenylpropyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

398.25696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 201.9
[M+Na]+ 421.24618 205.4
[M-H]- 397.24968 207.1
[M+NH4]+ 416.29078 209.6
[M+K]+ 437.22012 200.6
[M+H-H2O]+ 381.25422 189.5
[M+HCOO]- 443.25516 217.4
[M+CH3COO]- 457.27081 224.6
[M+Na-2H]- 419.23163 201.0
[M]+ 398.25641 203.9
[M]- 398.25751 203.9
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

patents stripe