CID 1908850

2-methoxyethyl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C(=O)OCCOC
InChI
InChI=1S/C20H20O5/c1-14-19(20(21)23-11-10-22-2)17-12-16(8-9-18(17)25-14)24-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKey
AOBFUOFDQKCREL-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.138346 179.3
[M+Na]+ 363.120288 187.9
[M-H]- 339.123794 188.2
[M+NH4]+ 358.164893 194.3
[M+K]+ 379.094228 186.0
[M+H-H2O]+ 323.128330 171.5
[M+HCOO]- 385.129271 202.8
[M+CH3COO]- 399.144921 210.4
[M+Na-2H]- 361.105736 183.0
[M]+ 340.13052142 188.8
[M]- 340.13161858 188.8
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.