CID 75216086

2-methyl-6-[[3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C20H30O13
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C(C(=C3)OC)OC)O)O)O)O)O)O)O
InChI
InChI=1S/C20H30O13/c1-7-12(22)14(24)16(26)19(31-7)30-6-11-13(23)15(25)17(27)20(33-11)32-8-4-9(21)18(29-3)10(5-8)28-2/h4-5,7,11-17,19-27H,6H2,1-3H3
InChIKey
OQANFGSTRGXSMB-UHFFFAOYSA-N
Compound name
2-methyl-6-[[3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.16864 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.175916 207.6
[M+Na]+ 501.157858 210.5
[M-H]- 477.161364 209.8
[M+NH4]+ 496.202463 208.1
[M+K]+ 517.131798 213.3
[M+H-H2O]+ 461.165900 198.8
[M+HCOO]- 523.166841 211.7
[M+CH3COO]- 537.182491 230.8
[M+Na-2H]- 499.143306 202.6
[M]+ 478.16809142 210.4
[M]- 478.16918858 210.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.