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 185.0
[M+Na]+ 383.14652 191.0
[M-H]- 359.15002 186.6
[M+NH4]+ 378.19112 195.2
[M+K]+ 399.12046 186.6
[M+H-H2O]+ 343.15456 177.3
[M+HCOO]- 405.15550 201.5
[M+CH3COO]- 419.17115 208.7
[M+Na-2H]- 381.13197 183.5
[M]+ 360.15675 188.0
[M]- 360.15785 188.0
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.