CID 24834688

88772-47-8

Structural Information

Molecular Formula
C24H32FNO4
SMILES
COC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C24H32FNO4/c1-28-21-12-13-22(29-2)24(30-17-16-26-14-4-3-5-15-26)23(21)20(27)11-8-18-6-9-19(25)10-7-18/h6-7,9-10,12-13,20,27H,3-5,8,11,14-17H2,1-2H3
InChIKey
WRJRAFPXDHDMBA-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.23154 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.23882 203.4
[M+Na]+ 440.22076 206.1
[M-H]- 416.22426 207.4
[M+NH4]+ 435.26536 210.8
[M+K]+ 456.19470 201.5
[M+H-H2O]+ 400.22880 191.3
[M+HCOO]- 462.22974 216.9
[M+CH3COO]- 476.24539 225.2
[M+Na-2H]- 438.20621 200.5
[M]+ 417.23099 202.9
[M]- 417.23209 202.9
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.