CID 14015956

(2r,3r,4s,5s,6r)-2-[[(2r,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C21H24O10
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]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-6,15-28H,7-8H2/t15-,16-,17-,18+,19-,20-,21-/m1/s1
InChIKey
XWMNERHJDTUVJN-UGUVDVTISA-N
Compound name
(2R,3R,4S,5S,6R)-2-[[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.13693 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14421 200.1
[M+Na]+ 459.12615 204.2
[M-H]- 435.12965 203.2
[M+NH4]+ 454.17075 203.0
[M+K]+ 475.10009 203.7
[M+H-H2O]+ 419.13419 191.3
[M+HCOO]- 481.13513 204.6
[M+CH3COO]- 495.15078 220.5
[M+Na-2H]- 457.11160 198.6
[M]+ 436.13638 198.2
[M]- 436.13748 198.2
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.