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]+ 434.23372 206.0
[M+Na]+ 456.21566 209.0
[M-H]- 432.21916 209.1
[M+NH4]+ 451.26026 212.3
[M+K]+ 472.18960 204.6
[M+H-H2O]+ 416.22370 194.3
[M+HCOO]- 478.22464 218.2
[M+CH3COO]- 492.24029 226.4
[M+Na-2H]- 454.20111 202.2
[M]+ 433.22589 205.7
[M]- 433.22699 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.