CID 157010086

3-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol

Structural Information

Molecular Formula
C22H23O11
SMILES
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-29-14-3-9(4-15(30-2)18(14)26)21-16(32-22-20(28)19(27)17(8-23)33-22)7-11-12(25)5-10(24)6-13(11)31-21/h3-7,17,19-20,22-23,27-28H,8H2,1-2H3,(H2-,24,25,26)/p+1/t17-,19-,20+,22+/m1/s1
InChIKey
WNKBGLOGIZOFFU-PBVWOCPUSA-O
Compound name
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.12402 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.13130 206.6
[M+Na]+ 486.11324 212.8
[M-H]- 462.11674 212.8
[M+NH4]+ 481.15784 210.8
[M+K]+ 502.08718 207.6
[M+H-H2O]+ 446.12128 201.4
[M+HCOO]- 508.12222 216.8
[M+CH3COO]- 522.13787 219.2
[M+Na-2H]- 484.09869 207.8
[M]+ 463.12347 211.8
[M]- 463.12457 211.8
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.