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 209.2
[M+Na]+ 454.25640 211.4
[M-H]- 430.25990 213.6
[M+NH4]+ 449.30100 217.8
[M+K]+ 470.23034 210.1
[M+H-H2O]+ 414.26444 199.9
[M+HCOO]- 476.26538 226.2
[M+CH3COO]- 490.28103 235.8
[M+Na-2H]- 452.24185 203.9
[M]+ 431.26663 215.8
[M]- 431.26773 215.8
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.