CID 214027

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

Structural Information

Molecular Formula
C23H31FN2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C23H31FN2O2/c1-2-28-23(18-19-6-4-3-5-7-19)26-16-14-25(15-17-26)13-12-22(27)20-8-10-21(24)11-9-20/h3-11,22-23,27H,2,12-18H2,1H3
InChIKey
PPGTXRYHMJTNKH-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.23697 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24425 196.5
[M+Na]+ 409.22619 197.9
[M-H]- 385.22969 198.6
[M+NH4]+ 404.27079 203.4
[M+K]+ 425.20013 192.2
[M+H-H2O]+ 369.23423 184.0
[M+HCOO]- 431.23517 207.8
[M+CH3COO]- 445.25082 219.1
[M+Na-2H]- 407.21164 194.4
[M]+ 386.23642 192.0
[M]- 386.23752 192.0
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.