CID 3079791

Alpha-(3-ethoxy-6-methoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-4-hydroxybenzenepropanol

Structural Information

Molecular Formula
C25H35NO5
SMILES
CCOC1=C(C(=C(C=C1)OC)C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3
InChI
InChI=1S/C25H35NO5/c1-3-30-23-14-13-22(29-2)24(21(28)12-9-19-7-10-20(27)11-8-19)25(23)31-18-17-26-15-5-4-6-16-26/h7-8,10-11,13-14,21,27-28H,3-6,9,12,15-18H2,1-2H3
InChIKey
BTDYVKNWIGQDTE-UHFFFAOYSA-N
Compound name
4-[3-[3-ethoxy-6-methoxy-2-(2-piperidin-1-ylethoxy)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]+ 430.258806 206.7
[M+Na]+ 452.240748 208.2
[M-H]- 428.244254 210.6
[M+NH4]+ 447.285353 212.9
[M+K]+ 468.214688 204.1
[M+H-H2O]+ 412.248790 195.7
[M+HCOO]- 474.249731 219.7
[M+CH3COO]- 488.265381 225.4
[M+Na-2H]- 450.226196 203.8
[M]+ 429.25098142 207.3
[M]- 429.25207858 207.3
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.