CID 131752523

(1'x,2s)-2-(1,2-dihydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g][1]benzopyran-7-one 2'-glucoside

Structural Information

Molecular Formula
C20H24O10
SMILES
CC(COC1C(C(C(C(O1)CO)O)O)O)(C2CC3=C(O2)C=C4C(=C3)C=CC(=O)O4)O
InChI
InChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3
InChIKey
LCIXUGGPLIEEGU-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.13693 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 193.2
[M+Na]+ 447.12615 201.6
[M+NH4]+ 442.17075 196.4
[M+K]+ 463.10009 203.3
[M-H]- 423.12965 195.9
[M+Na-2H]- 445.11160 190.3
[M]+ 424.13638 194.7
[M]- 424.13748 194.7
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.