CID 13337409

Alpha-(2-(2-(bis(1-methylethyl)amino)ethoxy)-3,6-dimethoxyphenyl)-4-hydroxybenzenepropanol

Structural Information

Molecular Formula
C25H37NO5
SMILES
CC(C)N(CCOC1=C(C=CC(=C1C(CCC2=CC=C(C=C2)O)O)OC)OC)C(C)C
InChI
InChI=1S/C25H37NO5/c1-17(2)26(18(3)4)15-16-31-25-23(30-6)14-13-22(29-5)24(25)21(28)12-9-19-7-10-20(27)11-8-19/h7-8,10-11,13-14,17-18,21,27-28H,9,12,15-16H2,1-6H3
InChIKey
SDKNPASSPGOYCU-UHFFFAOYSA-N
Compound name
4-[3-[2-[2-[di(propan-2-yl)amino]ethoxy]-3,6-dimethoxyphenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.26718 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.27446 208.5
[M+Na]+ 454.25640 217.9
[M+NH4]+ 449.30100 213.0
[M+K]+ 470.23034 213.1
[M-H]- 430.25990 210.8
[M+Na-2H]- 452.24185 211.9
[M]+ 431.26663 210.3
[M]- 431.26773 210.3
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.