CID 218616

40943-87-1

Structural Information

Molecular Formula
C24H31FN2O3
SMILES
CC1=CC=CC=C1OCC(CN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C24H31FN2O3/c1-19-5-2-3-7-24(19)30-18-22(28)17-27-15-13-26(14-16-27)12-4-6-23(29)20-8-10-21(25)11-9-20/h2-3,5,7-11,22,28H,4,6,12-18H2,1H3
InChIKey
XWVXRHNDLFFHRU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23187 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23915 205.2
[M+Na]+ 437.22109 216.0
[M+NH4]+ 432.26569 209.9
[M+K]+ 453.19503 208.7
[M-H]- 413.22459 207.3
[M+Na-2H]- 435.20654 210.3
[M]+ 414.23132 207.0
[M]- 414.23242 207.0
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.