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]+ 419.09728 191.0
[M+Na]+ 441.07922 199.4
[M-H]- 417.08272 203.2
[M+NH4]+ 436.12382 201.4
[M+K]+ 457.05316 204.0
[M+H-H2O]+ 401.08726 187.0
[M+HCOO]- 463.08820 207.4
[M+CH3COO]- 477.10385 226.0
[M+Na-2H]- 439.06467 192.2
[M]+ 418.08945 204.8
[M]- 418.09055 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.