CID 5281680

Quercetagetin

Structural Information

Molecular Formula
C15H10O8
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O
InChI
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
InChIKey
ZVOLCUVKHLEPEV-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

113
References

61535
Patents

318.03757 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.044846 166.5
[M+Na]+ 341.026788 177.5
[M-H]- 317.030294 169.4
[M+NH4]+ 336.071393 177.2
[M+K]+ 357.000728 174.6
[M+H-H2O]+ 301.034830 159.7
[M+HCOO]- 363.035771 181.5
[M+CH3COO]- 377.051421 197.7
[M+Na-2H]- 339.012236 169.9
[M]+ 318.03702142 168.8
[M]- 318.03811858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe