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

2
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

patents stripe