CID 13248271

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

Structural Information

Molecular Formula
C24H33NO5
SMILES
COC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC(=CC=C3)O)O
InChI
InChI=1S/C24H33NO5/c1-28-21-11-12-22(29-2)24(30-16-15-25-13-4-3-5-14-25)23(21)20(27)10-9-18-7-6-8-19(26)17-18/h6-8,11-12,17,20,26-27H,3-5,9-10,13-16H2,1-2H3
InChIKey
PKRXPYHAWSSPOO-UHFFFAOYSA-N
Compound name
3-[3-[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

415.23587 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.24315 202.4
[M+Na]+ 438.22509 204.4
[M-H]- 414.22859 206.5
[M+NH4]+ 433.26969 209.2
[M+K]+ 454.19903 200.4
[M+H-H2O]+ 398.23313 191.6
[M+HCOO]- 460.23407 215.7
[M+CH3COO]- 474.24972 222.5
[M+Na-2H]- 436.21054 200.0
[M]+ 415.23532 202.7
[M]- 415.23642 202.7
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.