CID 11256019

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

Structural Information

Molecular Formula
C17H16O7
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O
InChI
InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3
InChIKey
SVPNMFZMHPLGRR-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
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 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

patents stripe