CID 189609

5-methoxy-6,7-methylenedioxyflavone

Structural Information

Molecular Formula
C17H12O5
SMILES
COC1=C2C(=CC3=C1OCO3)OC(=CC2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12O5/c1-19-17-15-11(18)7-12(10-5-3-2-4-6-10)22-13(15)8-14-16(17)21-9-20-14/h2-8H,9H2,1H3
InChIKey
NGLORVNWTNPBMU-UHFFFAOYSA-N
Compound name
9-methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

296.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 162.5
[M+Na]+ 319.05770 173.5
[M-H]- 295.06120 174.1
[M+NH4]+ 314.10230 177.8
[M+K]+ 335.03164 173.4
[M+H-H2O]+ 279.06574 156.0
[M+HCOO]- 341.06668 182.9
[M+CH3COO]- 355.08233 176.4
[M+Na-2H]- 317.04315 170.2
[M]+ 296.06793 169.3
[M]- 296.06903 169.3
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