CID 214107

4-(beta-ethoxyphenethyl)-alpha-(p-methoxyphenyl)-1-piperazinepropanol dihydrochloride

Structural Information

Molecular Formula
C24H34N2O3
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C24H34N2O3/c1-3-29-24(19-20-7-5-4-6-8-20)26-17-15-25(16-18-26)14-13-23(27)21-9-11-22(28-2)12-10-21/h4-12,23-24,27H,3,13-19H2,1-2H3
InChIKey
JVGNGVOZRXRWSJ-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25696 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 201.5
[M+Na]+ 421.24618 213.1
[M+NH4]+ 416.29078 207.4
[M+K]+ 437.22012 205.6
[M-H]- 397.24968 205.5
[M+Na-2H]- 419.23163 208.0
[M]+ 398.25641 204.2
[M]- 398.25751 204.2
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.