CID 73803060

(2s,4r,6s)-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]tetrahydro-6-(4-hydroxy-3,5-dimethoxyphenyl)-2h-pyran-4-ol

Structural Information

Molecular Formula
C22H28O7
SMILES
COC1=CC(=CC(=C1O)OC)C2CC(CC(O2)CCC3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C22H28O7/c1-26-19-8-13(5-7-17(19)24)4-6-16-11-15(23)12-18(29-16)14-9-20(27-2)22(25)21(10-14)28-3/h5,7-10,15-16,18,23-25H,4,6,11-12H2,1-3H3
InChIKey
FSJJNEYYEKNFEZ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

404.1835 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.190776 196.5
[M+Na]+ 427.172718 201.9
[M-H]- 403.176224 203.0
[M+NH4]+ 422.217323 204.1
[M+K]+ 443.146658 200.0
[M+H-H2O]+ 387.180760 187.2
[M+HCOO]- 449.181701 210.8
[M+CH3COO]- 463.197351 220.0
[M+Na-2H]- 425.158166 194.8
[M]+ 404.18295142 199.5
[M]- 404.18404858 199.5
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.