CID 162992930

(2s,3r,4s,5r)-2-[[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl]oxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C20H22O9
SMILES
C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O
InChI
InChI=1S/C20H22O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-6,14,16-26H,7-8H2/t14-,16-,17+,18-,19+,20+/m1/s1
InChIKey
PNKDYHXWXNUKQK-AZQPHWPRSA-N
Compound name
(2S,3R,4S,5R)-2-[[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12637 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.133646 192.5
[M+Na]+ 429.115588 197.1
[M-H]- 405.119094 196.8
[M+NH4]+ 424.160193 197.2
[M+K]+ 445.089528 196.3
[M+H-H2O]+ 389.123630 183.8
[M+HCOO]- 451.124571 198.8
[M+CH3COO]- 465.140221 215.0
[M+Na-2H]- 427.101036 192.2
[M]+ 406.12582142 190.0
[M]- 406.12691858 190.0
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.