CID 6478841

Methyl (e)-7-methoxy-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-benzofurancarboxylate

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=C(C=C(C=C1)/C=C/C2=CC3=C(O2)C(=C(C=C3)C(=O)OC)OC)OC
InChI
InChI=1S/C21H20O6/c1-23-17-10-6-13(11-18(17)24-2)5-8-15-12-14-7-9-16(21(22)26-4)20(25-3)19(14)27-15/h5-12H,1-4H3/b8-5+
InChIKey
VRMBMFOMPAGUNZ-VMPITWQZSA-N
Compound name
methyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methoxy-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.12598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.3
[M+Na]+ 391.11520 195.3
[M-H]- 367.11870 194.8
[M+NH4]+ 386.15980 199.6
[M+K]+ 407.08914 193.5
[M+H-H2O]+ 351.12324 177.6
[M+HCOO]- 413.12418 208.7
[M+CH3COO]- 427.13983 216.7
[M+Na-2H]- 389.10065 187.3
[M]+ 368.12543 196.7
[M]- 368.12653 196.7
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.