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 200.5
[M+Na]+ 421.24618 201.1
[M-H]- 397.24968 203.8
[M+NH4]+ 416.29078 206.8
[M+K]+ 437.22012 196.5
[M+H-H2O]+ 381.25422 188.6
[M+HCOO]- 443.25516 212.6
[M+CH3COO]- 457.27081 221.5
[M+Na-2H]- 419.23163 198.6
[M]+ 398.25641 198.7
[M]- 398.25751 198.7
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.