CID 979588

Propan-2-yl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C22H22O6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)OC)C(=O)OC(C)C
InChI
InChI=1S/C22H22O6/c1-13(2)27-22(24)21-14(3)28-20-10-9-17(11-18(20)21)26-12-19(23)15-5-7-16(25-4)8-6-15/h5-11,13H,12H2,1-4H3
InChIKey
MUCGXQQMTFWCDI-UHFFFAOYSA-N
Compound name
propan-2-yl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14163 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14891 190.1
[M+Na]+ 405.13085 198.0
[M-H]- 381.13435 199.1
[M+NH4]+ 400.17545 203.2
[M+K]+ 421.10479 197.1
[M+H-H2O]+ 365.13889 182.4
[M+HCOO]- 427.13983 211.1
[M+CH3COO]- 441.15548 220.8
[M+Na-2H]- 403.11630 190.0
[M]+ 382.14108 200.2
[M]- 382.14218 200.2
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.