CID 44260080

3,5,8,3'-tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone

Structural Information

Molecular Formula
C21H18O10
SMILES
COC1=CC(=CC2=C1OCO2)C3=C(C(=O)C4=C(O3)C(=C5C(=C4OC)OCO5)OC)OC
InChI
InChI=1S/C21H18O10/c1-23-10-5-9(6-11-15(10)28-7-27-11)14-18(25-3)13(22)12-16(24-2)20-21(30-8-29-20)19(26-4)17(12)31-14/h5-6H,7-8H2,1-4H3
InChIKey
IFRKPKWNSUEXHO-UHFFFAOYSA-N
Compound name
4,7,9-trimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.09 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09728 193.5
[M+Na]+ 453.07922 204.7
[M-H]- 429.08272 207.9
[M+NH4]+ 448.12382 203.5
[M+K]+ 469.05316 209.3
[M+H-H2O]+ 413.08726 189.5
[M+HCOO]- 475.08820 209.7
[M+CH3COO]- 489.10385 206.1
[M+Na-2H]- 451.06467 197.1
[M]+ 430.08945 209.5
[M]- 430.09055 209.5
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