CID 13337418

88770-81-4

Structural Information

Molecular Formula
C24H32FNO5
SMILES
COC1=CC(=C(C(=C1C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3)OC)F
InChI
InChI=1S/C24H32FNO5/c1-29-21-16-19(25)23(30-2)24(31-15-14-26-12-4-3-5-13-26)22(21)20(28)11-8-17-6-9-18(27)10-7-17/h6-7,9-10,16,20,27-28H,3-5,8,11-15H2,1-2H3
InChIKey
CAUIQEQLQLKRFY-UHFFFAOYSA-N
Compound name
4-[3-[4-fluoro-3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.22644 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.233716 206.0
[M+Na]+ 456.215658 209.0
[M-H]- 432.219164 209.1
[M+NH4]+ 451.260263 212.3
[M+K]+ 472.189598 204.6
[M+H-H2O]+ 416.223700 194.3
[M+HCOO]- 478.224641 218.2
[M+CH3COO]- 492.240291 226.4
[M+Na-2H]- 454.201106 202.2
[M]+ 433.22589142 205.7
[M]- 433.22698858 205.7
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.