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]+ 341.13835 179.3
[M+Na]+ 363.12029 187.9
[M-H]- 339.12379 188.2
[M+NH4]+ 358.16489 194.3
[M+K]+ 379.09423 186.0
[M+H-H2O]+ 323.12833 171.5
[M+HCOO]- 385.12927 202.8
[M+CH3COO]- 399.14492 210.4
[M+Na-2H]- 361.10574 183.0
[M]+ 340.13052 188.8
[M]- 340.13162 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.