CID 137553765

Chebi:143259

Structural Information

Molecular Formula
C20H24O6
SMILES
COC1=CC(=CC(=C1O)[C@H](CC2=CC(=C(C=C2)O)OC)CO)/C=C/CO
InChI
InChI=1S/C20H24O6/c1-25-18-10-14(5-6-17(18)23)8-15(12-22)16-9-13(4-3-7-21)11-19(26-2)20(16)24/h3-6,9-11,15,21-24H,7-8,12H2,1-2H3/b4-3+/t15-/m1/s1
InChIKey
NKGIDUKYPKQLIB-NHZBNJEXSA-N
Compound name
2-[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1573 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 186.9
[M+Na]+ 383.14652 198.1
[M+NH4]+ 378.19112 191.2
[M+K]+ 399.12046 193.1
[M-H]- 359.15002 187.5
[M+Na-2H]- 381.13197 190.2
[M]+ 360.15675 188.4
[M]- 360.15785 188.4
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.