CID 486613

(2r,3s,4s)-2,3-diethyl-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-tetralin-6-ol

Structural Information

Molecular Formula
C22H28O4
SMILES
CC[C@@H]1CC2=CC(=C(C=C2[C@@H]([C@H]1CC)C3=CC(=C(C=C3)O)OC)O)OC
InChI
InChI=1S/C22H28O4/c1-5-13-9-15-11-21(26-4)19(24)12-17(15)22(16(13)6-2)14-7-8-18(23)20(10-14)25-3/h7-8,10-13,16,22-24H,5-6,9H2,1-4H3/t13-,16+,22-/m1/s1
InChIKey
XWRKSUJIWPCHLR-JFUMZLFPSA-N
Compound name
(6R,7S,8S)-6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.19876 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20604 186.9
[M+Na]+ 379.18798 194.3
[M-H]- 355.19148 192.0
[M+NH4]+ 374.23258 200.3
[M+K]+ 395.16192 189.7
[M+H-H2O]+ 339.19602 179.0
[M+HCOO]- 401.19696 202.9
[M+CH3COO]- 415.21261 216.3
[M+Na-2H]- 377.17343 186.1
[M]+ 356.19821 189.5
[M]- 356.19931 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.