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]+ 430.25881 206.7
[M+Na]+ 452.24075 208.2
[M-H]- 428.24425 210.6
[M+NH4]+ 447.28535 212.9
[M+K]+ 468.21469 204.1
[M+H-H2O]+ 412.24879 195.7
[M+HCOO]- 474.24973 219.7
[M+CH3COO]- 488.26538 225.4
[M+Na-2H]- 450.22620 203.8
[M]+ 429.25098 207.3
[M]- 429.25208 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.