CID 23844027

Compound np-000343

Structural Information

Molecular Formula
C20H30O13
SMILES
COC1=CC(=CC(=C1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC3C(C(C(CO3)O)O)O)O)O)O
InChI
InChI=1S/C20H30O13/c1-27-10-4-8(5-11(28-2)18(10)29-3)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)9(21)6-30-19/h4-5,9,12-17,19-26H,6-7H2,1-3H3/t9?,12-,13?,14-,15+,16?,17-,19?,20-/m1/s1
InChIKey
GGIDHIBVLYVTAU-QGPLIYBISA-N
Compound name
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.16864 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.175916 205.8
[M+Na]+ 501.157858 208.3
[M-H]- 477.161364 208.9
[M+NH4]+ 496.202463 206.7
[M+K]+ 517.131798 211.6
[M+H-H2O]+ 461.165900 196.6
[M+HCOO]- 523.166841 211.5
[M+CH3COO]- 537.182491 230.6
[M+Na-2H]- 499.143306 202.0
[M]+ 478.16809142 209.7
[M]- 478.16918858 209.7
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.