CID 3074360

156809-09-5

Structural Information

Molecular Formula
C22H24O9
SMILES
CCOC(=O)C1=C(C2=C(C=C1)OCO2)C3=C(C(=C(C=C3C(=O)OCC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-6-28-21(23)12-8-9-14-18(31-11-30-14)16(12)17-13(22(24)29-7-2)10-15(25-3)19(26-4)20(17)27-5/h8-10H,6-7,11H2,1-5H3
InChIKey
BSYHXJMLZRHNHU-UHFFFAOYSA-N
Compound name
ethyl 4-(6-ethoxycarbonyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.14203 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 198.7
[M+Na]+ 455.13125 206.1
[M-H]- 431.13475 208.2
[M+NH4]+ 450.17585 208.7
[M+K]+ 471.10519 208.3
[M+H-H2O]+ 415.13929 191.2
[M+HCOO]- 477.14023 217.4
[M+CH3COO]- 491.15588 229.8
[M+Na-2H]- 453.11670 198.2
[M]+ 432.14148 212.4
[M]- 432.14258 212.4
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.