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]+ 339.159076 180.6
[M+Na]+ 361.141018 190.9
[M-H]- 337.144524 190.2
[M+NH4]+ 356.185623 196.6
[M+K]+ 377.114958 188.2
[M+H-H2O]+ 321.149060 173.4
[M+HCOO]- 383.150001 203.6
[M+CH3COO]- 397.165651 213.7
[M+Na-2H]- 359.126466 182.4
[M]+ 338.15125142 190.0
[M]- 338.15234858 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.