CID 124746

Dtxsid80238708

Structural Information

Molecular Formula
C19H16O10
SMILES
COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)O)OCO4)OCO2
InChI
InChI=1S/C19H16O10/c1-23-11-5-9(19(22)25-3)13(17-15(11)27-7-29-17)12-8(18(21)24-2)4-10(20)14-16(12)28-6-26-14/h4-5,20H,6-7H2,1-3H3
InChIKey
PGORXRYYHHQBMW-UHFFFAOYSA-N
Compound name
methyl 7-hydroxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

0
Patents

404.07434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08162 186.7
[M+Na]+ 427.06356 195.0
[M-H]- 403.06706 197.8
[M+NH4]+ 422.10816 197.0
[M+K]+ 443.03750 199.1
[M+H-H2O]+ 387.07160 182.9
[M+HCOO]- 449.07254 202.0
[M+CH3COO]- 463.08819 221.2
[M+Na-2H]- 425.04901 188.1
[M]+ 404.07379 198.5
[M]- 404.07489 198.5
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

No patent data available for this compound.