CID 702007

307551-72-0

Structural Information

Molecular Formula
C21H22O4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=C(C=CC(=C3)C)C)C
InChI
InChI=1S/C21H22O4/c1-5-23-21(22)20-15(4)25-19-9-8-17(11-18(19)20)24-12-16-10-13(2)6-7-14(16)3/h6-11H,5,12H2,1-4H3
InChIKey
CJVOYUDONTZQSQ-UHFFFAOYSA-N
Compound name
ethyl 5-[(2,5-dimethylphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.6
[M+Na]+ 361.14102 190.9
[M-H]- 337.14452 190.2
[M+NH4]+ 356.18562 196.6
[M+K]+ 377.11496 188.2
[M+H-H2O]+ 321.14906 173.4
[M+HCOO]- 383.15000 203.6
[M+CH3COO]- 397.16565 213.7
[M+Na-2H]- 359.12647 182.4
[M]+ 338.15125 190.0
[M]- 338.15235 190.0
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.