CID 13248273

Alpha-(2-(2-(diethylamino)ethoxy)-3,6-dimethoxyphenyl)-4-hydroxybenzenepropanol

Structural Information

Molecular Formula
C23H33NO5
SMILES
CCN(CC)CCOC1=C(C=CC(=C1C(CCC2=CC=C(C=C2)O)O)OC)OC
InChI
InChI=1S/C23H33NO5/c1-5-24(6-2)15-16-29-23-21(28-4)14-13-20(27-3)22(23)19(26)12-9-17-7-10-18(25)11-8-17/h7-8,10-11,13-14,19,25-26H,5-6,9,12,15-16H2,1-4H3
InChIKey
BUINUCNDQWMMGI-UHFFFAOYSA-N
Compound name
4-[3-[2-[2-(diethylamino)ethoxy]-3,6-dimethoxyphenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.23587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24315 200.5
[M+Na]+ 426.22509 204.1
[M-H]- 402.22859 205.1
[M+NH4]+ 421.26969 210.4
[M+K]+ 442.19903 201.9
[M+H-H2O]+ 386.23313 191.0
[M+HCOO]- 448.23407 220.1
[M+CH3COO]- 462.24972 228.1
[M+Na-2H]- 424.21054 198.5
[M]+ 403.23532 207.5
[M]- 403.23642 207.5
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.