CID 1554972

2-methoxyethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C21H19ClO6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)OCCOC
InChI
InChI=1S/C21H19ClO6/c1-13-20(21(24)26-10-9-25-2)17-11-16(7-8-19(17)28-13)27-12-18(23)14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3
InChIKey
ZAWRXDHMSMCSNN-UHFFFAOYSA-N
Compound name
2-methoxyethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.087 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09428 192.2
[M+Na]+ 425.07622 201.7
[M-H]- 401.07972 201.3
[M+NH4]+ 420.12082 205.6
[M+K]+ 441.05016 198.8
[M+H-H2O]+ 385.08426 185.1
[M+HCOO]- 447.08520 210.1
[M+CH3COO]- 461.10085 220.4
[M+Na-2H]- 423.06167 193.3
[M]+ 402.08645 205.0
[M]- 402.08755 205.0
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.