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]+ 357.206036 186.9
[M+Na]+ 379.187978 194.3
[M-H]- 355.191484 192.0
[M+NH4]+ 374.232583 200.3
[M+K]+ 395.161918 189.7
[M+H-H2O]+ 339.196020 179.0
[M+HCOO]- 401.196961 202.9
[M+CH3COO]- 415.212611 216.3
[M+Na-2H]- 377.173426 186.1
[M]+ 356.19821142 189.5
[M]- 356.19930858 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.