CID 214025

4-(beta-ethoxyphenethyl)-alpha-phenyl-1-piperazinepropanol dihydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)O
InChI
InChI=1S/C23H32N2O2/c1-2-27-23(19-20-9-5-3-6-10-20)25-17-15-24(16-18-25)14-13-22(26)21-11-7-4-8-12-21/h3-12,22-23,26H,2,13-19H2,1H3
InChIKey
RAHXUWPNNKTIQB-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 193.0
[M+Na]+ 391.235588 193.3
[M-H]- 367.239094 196.0
[M+NH4]+ 386.280193 200.3
[M+K]+ 407.209528 188.1
[M+H-H2O]+ 351.243630 181.2
[M+HCOO]- 413.244571 205.3
[M+CH3COO]- 427.260221 215.4
[M+Na-2H]- 389.221036 192.3
[M]+ 368.24582142 189.0
[M]- 368.24691858 189.0
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.