CID 13889013

5,2',5'-trihydroxy-7,8-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O7
SMILES
COC1=C(C2=C(C(=O)CC(O2)C3=C(C=CC(=C3)O)O)C(=C1)O)OC
InChI
InChI=1S/C17H16O7/c1-22-14-7-12(21)15-11(20)6-13(24-17(15)16(14)23-2)9-5-8(18)3-4-10(9)19/h3-5,7,13,18-19,21H,6H2,1-2H3
InChIKey
GEYJPRIXUQREOJ-UHFFFAOYSA-N
Compound name
2-(2,5-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09688 172.3
[M+Na]+ 355.07882 181.4
[M-H]- 331.08232 177.8
[M+NH4]+ 350.12342 184.3
[M+K]+ 371.05276 179.6
[M+H-H2O]+ 315.08686 164.9
[M+HCOO]- 377.08780 188.4
[M+CH3COO]- 391.10345 206.0
[M+Na-2H]- 353.06427 175.1
[M]+ 332.08905 175.9
[M]- 332.09015 175.9
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

No patent data available for this compound.