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]+ 419.09728 195.3
[M+Na]+ 441.07922 202.8
[M-H]- 417.08272 199.9
[M+NH4]+ 436.12382 199.3
[M+K]+ 457.05316 201.9
[M+H-H2O]+ 401.08726 186.6
[M+HCOO]- 463.08820 203.0
[M+CH3COO]- 477.10385 218.0
[M+Na-2H]- 439.06467 195.0
[M]+ 418.08945 195.5
[M]- 418.09055 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.