CID 44258399

5,7,3'-trimethoxy-4',5'-methylenedioxyflavone

Structural Information

Molecular Formula
C19H16O7
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC4=C(C(=C3)OC)OCO4
InChI
InChI=1S/C19H16O7/c1-21-11-6-14(22-2)18-12(20)8-13(26-15(18)7-11)10-4-16(23-3)19-17(5-10)24-9-25-19/h4-8H,9H2,1-3H3
InChIKey
BWLXQDXZRBBMSG-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

356.0896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09688 178.3
[M+Na]+ 379.07882 189.5
[M-H]- 355.08232 190.3
[M+NH4]+ 374.12342 191.4
[M+K]+ 395.05276 190.7
[M+H-H2O]+ 339.08686 171.3
[M+HCOO]- 401.08780 198.2
[M+CH3COO]- 415.10345 191.6
[M+Na-2H]- 377.06427 184.0
[M]+ 356.08905 189.5
[M]- 356.09015 189.5
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