CID 5488656

(2s,3r,4s,5r)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol

Structural Information

Molecular Formula
C20H19O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C20H18O9/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/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17+,18-,20+/m1/s1
InChIKey
LEJPLPFWLUXHCB-GBYFWLHCSA-O
Compound name
(2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1029 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11018 194.1
[M+Na]+ 426.09212 200.0
[M-H]- 402.09562 199.5
[M+NH4]+ 421.13672 198.7
[M+K]+ 442.06606 193.2
[M+H-H2O]+ 386.10016 187.6
[M+HCOO]- 448.10110 202.8
[M+CH3COO]- 462.11675 206.4
[M+Na-2H]- 424.07757 198.1
[M]+ 403.10235 193.0
[M]- 403.10345 193.0
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.