CID 131752792

3,5,7-trihydroxy-4',6-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O7
SMILES
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
InChI
InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3
InChIKey
MEROIHPPFMVPPD-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.0896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09688 173.4
[M+Na]+ 355.07882 186.9
[M+NH4]+ 350.12342 179.3
[M+K]+ 371.05276 182.5
[M-H]- 331.08232 176.8
[M+Na-2H]- 353.06427 176.9
[M]+ 332.08905 176.2
[M]- 332.09015 176.2
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.