CID 74977640

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

Structural Information

Molecular Formula
C20H18O10
SMILES
C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-10-2-1-8(3-11(10)22)15-6-13(24)17-12(23)4-9(5-16(17)30-15)29-20-19(27)18(26)14(25)7-28-20/h1-6,14,18-23,25-27H,7H2
InChIKey
DKVCLOWHUOSJGW-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.09 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09728 194.4
[M+Na]+ 441.07922 207.0
[M+NH4]+ 436.12382 197.8
[M+K]+ 457.05316 204.9
[M-H]- 417.08272 199.0
[M+Na-2H]- 439.06467 196.1
[M]+ 418.08945 197.2
[M]- 418.09055 197.2
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.