CID 13337416

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

Structural Information

Molecular Formula
C23H32ClNO5
SMILES
CCN(CC)CCOC1=C(C(=CC(=C1OC)Cl)OC)C(CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C23H32ClNO5/c1-5-25(6-2)13-14-30-23-21(20(28-3)15-18(24)22(23)29-4)19(27)12-9-16-7-10-17(26)11-8-16/h7-8,10-11,15,19,26-27H,5-6,9,12-14H2,1-4H3
InChIKey
KYUBCGWMYANORF-UHFFFAOYSA-N
Compound name
4-[3-[4-chloro-2-[2-(diethylamino)ethoxy]-3,6-dimethoxyphenyl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1969 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20418 205.3
[M+Na]+ 460.18612 210.7
[M-H]- 436.18962 210.3
[M+NH4]+ 455.23072 215.2
[M+K]+ 476.16006 206.9
[M+H-H2O]+ 420.19416 197.1
[M+HCOO]- 482.19510 220.6
[M+CH3COO]- 496.21075 232.9
[M+Na-2H]- 458.17157 202.5
[M]+ 437.19635 215.2
[M]- 437.19745 215.2
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.