CID 44260080

82668-93-7

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

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.