CID 1584649

2-methoxyethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C19H24O6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C(C)(C)C)C(=O)OCCOC
InChI
InChI=1S/C19H24O6/c1-12-17(18(21)23-9-8-22-5)14-10-13(6-7-15(14)25-12)24-11-16(20)19(2,3)4/h6-7,10H,8-9,11H2,1-5H3
InChIKey
ZILVYRCMPCHAHN-UHFFFAOYSA-N
Compound name
2-methoxyethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.1573 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16458 181.7
[M+Na]+ 371.14652 189.7
[M-H]- 347.15002 187.4
[M+NH4]+ 366.19112 196.9
[M+K]+ 387.12046 189.7
[M+H-H2O]+ 331.15456 175.8
[M+HCOO]- 393.15550 202.0
[M+CH3COO]- 407.17115 213.5
[M+Na-2H]- 369.13197 184.2
[M]+ 348.15675 193.3
[M]- 348.15785 193.3
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

patents stripe