CID 13248272

Alpha-(3,6-dimethoxy-2-(3-(1-piperidinyl)propoxy)phenyl)-4-hydroxybenzenepropanol

Structural Information

Molecular Formula
C25H35NO5
SMILES
COC1=C(C(=C(C=C1)OC)OCCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O
InChI
InChI=1S/C25H35NO5/c1-29-22-13-14-23(30-2)25(31-18-6-17-26-15-4-3-5-16-26)24(22)21(28)12-9-19-7-10-20(27)11-8-19/h7-8,10-11,13-14,21,27-28H,3-6,9,12,15-18H2,1-2H3
InChIKey
WDLBLSMMEIFWNN-UHFFFAOYSA-N
Compound name
4-[3-[3,6-dimethoxy-2-(3-piperidin-1-ylpropoxy)phenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.25153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25881 208.5
[M+Na]+ 452.24075 219.7
[M+NH4]+ 447.28535 213.7
[M+K]+ 468.21469 212.7
[M-H]- 428.24425 212.2
[M+Na-2H]- 450.22620 213.6
[M]+ 429.25098 211.0
[M]- 429.25208 211.0
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.