CID 42607827

7,2'-dimethoxy-4',5'-methylenedioxyflavanone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC2=C(C=C1)C(=O)C[C@H](O2)C3=CC4=C(C=C3OC)OCO4
InChI
InChI=1S/C18H16O6/c1-20-10-3-4-11-13(19)7-16(24-15(11)5-10)12-6-17-18(23-9-22-17)8-14(12)21-2/h3-6,8,16H,7,9H2,1-2H3/t16-/m0/s1
InChIKey
VPYIGVTZJRWQLE-INIZCTEOSA-N
Compound name
(2S)-7-methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 171.7
[M+Na]+ 351.083918 180.8
[M-H]- 327.087424 182.6
[M+NH4]+ 346.128523 185.6
[M+K]+ 367.057858 181.5
[M+H-H2O]+ 311.091960 165.0
[M+HCOO]- 373.092901 189.0
[M+CH3COO]- 387.108551 184.2
[M+Na-2H]- 349.069366 176.6
[M]+ 328.09415142 177.8
[M]- 328.09524858 177.8
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.