CID 214035

Alpha-(p-fluorophenyl)-4-(beta-isobutoxyphenethyl)-1-piperazinepropanol dihydrochloride

Structural Information

Molecular Formula
C25H35FN2O2
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C25H35FN2O2/c1-25(2,3)30-24(19-20-7-5-4-6-8-20)28-17-15-27(16-18-28)14-13-23(29)21-9-11-22(26)12-10-21/h4-12,23-24,29H,13-19H2,1-3H3
InChIKey
VIKZGZVUQLIHCU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.26825 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.27553 205.2
[M+Na]+ 437.25747 206.1
[M-H]- 413.26097 207.3
[M+NH4]+ 432.30207 211.1
[M+K]+ 453.23141 200.7
[M+H-H2O]+ 397.26551 193.0
[M+HCOO]- 459.26645 214.1
[M+CH3COO]- 473.28210 224.8
[M+Na-2H]- 435.24292 203.0
[M]+ 414.26770 200.8
[M]- 414.26880 200.8
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.