CID 468067

Methyl 7-methoxy-6-(4-methoxy-6-methoxycarbonyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxylate

Structural Information

Molecular Formula
C20H18O10
SMILES
COC1=C(C(=CC2=C1OCO2)C(=O)OC)C3=C(C4=C(C=C3C(=O)OC)OCO4)OC
InChI
InChI=1S/C20H18O10/c1-23-17-13(9(19(21)25-3)5-11-15(17)29-7-27-11)14-10(20(22)26-4)6-12-16(18(14)24-2)30-8-28-12/h5-6H,7-8H2,1-4H3
InChIKey
SFSNQUBKJLKHNJ-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-6-(4-methoxy-6-methoxycarbonyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.09 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.097276 191.0
[M+Na]+ 441.079218 199.4
[M-H]- 417.082724 203.2
[M+NH4]+ 436.123823 201.4
[M+K]+ 457.053158 204.0
[M+H-H2O]+ 401.087260 187.0
[M+HCOO]- 463.088201 207.4
[M+CH3COO]- 477.103851 226.0
[M+Na-2H]- 439.064666 192.2
[M]+ 418.08945142 204.8
[M]- 418.09054858 204.8
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.