CID 44258526

7-methoxy-5,6:3',4'-bis(methylenedioxy)flavone

Structural Information

Molecular Formula
C18H12O7
SMILES
COC1=C2C(=C3C(=C1)OC(=CC3=O)C4=CC5=C(C=C4)OCO5)OCO2
InChI
InChI=1S/C18H12O7/c1-20-15-6-14-16(18-17(15)23-8-24-18)10(19)5-12(25-14)9-2-3-11-13(4-9)22-7-21-11/h2-6H,7-8H2,1H3
InChIKey
LLCAUEWPQRQURL-UHFFFAOYSA-N
Compound name
7-(1,3-benzodioxol-5-yl)-4-methoxy-[1,3]dioxolo[4,5-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06558 170.2
[M+Na]+ 363.04752 181.6
[M-H]- 339.05102 184.1
[M+NH4]+ 358.09212 183.6
[M+K]+ 379.02146 184.2
[M+H-H2O]+ 323.05556 166.6
[M+HCOO]- 385.05650 187.4
[M+CH3COO]- 399.07215 184.0
[M+Na-2H]- 361.03297 176.3
[M]+ 340.05775 180.0
[M]- 340.05885 180.0
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.