CID 11959707

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C20H18O10
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-14(30-13)5-11(24)16(18(15)27)20-19(28)17(26)12(25)6-29-20/h1-5,12,17,19-22,24-28H,6H2/t12-,17-,19+,20-/m0/s1
InChIKey
ZVCCGSLELLZAOZ-NQIVQMERSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.09 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.097276 195.3
[M+Na]+ 441.079218 202.8
[M-H]- 417.082724 199.9
[M+NH4]+ 436.123823 199.3
[M+K]+ 457.053158 201.9
[M+H-H2O]+ 401.087260 186.6
[M+HCOO]- 463.088201 203.0
[M+CH3COO]- 477.103851 218.0
[M+Na-2H]- 439.064666 195.0
[M]+ 418.08945142 195.5
[M]- 418.09054858 195.5
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.