CID 131752298

2-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

Structural Information

Molecular Formula
C21H21O10
SMILES
COC1=CC(=CC(=C1O)O)C2=C(C=C3C=CC(=CC3=[O+]2)O)OC4C(C(C(CO4)O)O)O
InChI
InChI=1S/C21H20O10/c1-28-15-6-10(4-12(23)17(15)25)20-16(5-9-2-3-11(22)7-14(9)30-20)31-21-19(27)18(26)13(24)8-29-21/h2-7,13,18-19,21,24,26-27H,8H2,1H3,(H2-,22,23,25)/p+1
InChIKey
MVBYJYWJFIOZIW-UHFFFAOYSA-O
Compound name
2-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.11346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12074 198.3
[M+Na]+ 456.10268 212.5
[M+NH4]+ 451.14728 203.0
[M+K]+ 472.07662 210.9
[M-H]- 432.10618 204.8
[M+Na-2H]- 454.08813 200.8
[M]+ 433.11291 202.3
[M]- 433.11401 202.3
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.