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]+ 433.149306 198.7
[M+Na]+ 455.131248 206.1
[M-H]- 431.134754 208.2
[M+NH4]+ 450.175853 208.7
[M+K]+ 471.105188 208.3
[M+H-H2O]+ 415.139290 191.2
[M+HCOO]- 477.140231 217.4
[M+CH3COO]- 491.155881 229.8
[M+Na-2H]- 453.116696 198.2
[M]+ 432.14148142 212.4
[M]- 432.14257858 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.