CID 74977865

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one

Structural Information

Molecular Formula
C20H18O11
SMILES
C1C(C(C(C(O1)OC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-14(30-13)5-11(24)19(17(15)27)31-20-18(28)16(26)12(25)6-29-20/h1-5,12,16,18,20-22,24-28H,6H2
InChIKey
ROVSWYFYBQYCAJ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.0849 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09218 197.8
[M+Na]+ 457.07412 209.6
[M+NH4]+ 452.11872 200.3
[M+K]+ 473.04806 208.6
[M-H]- 433.07762 201.5
[M+Na-2H]- 455.05957 198.2
[M]+ 434.08435 200.2
[M]- 434.08545 200.2
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.