CID 489111

Chembl53026

Structural Information

Molecular Formula
C20H27NO4
SMILES
CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCN3CCCCC3)C
InChI
InChI=1S/C20H27NO4/c1-3-23-20(22)19-15(2)18-16(9-7-10-17(18)25-19)24-14-8-13-21-11-5-4-6-12-21/h7,9-10H,3-6,8,11-14H2,1-2H3
InChIKey
MNBVXKNOKLAALS-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-4-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 183.7
[M+Na]+ 368.18322 189.3
[M-H]- 344.18672 189.8
[M+NH4]+ 363.22782 197.0
[M+K]+ 384.15716 187.0
[M+H-H2O]+ 328.19126 175.1
[M+HCOO]- 390.19220 201.3
[M+CH3COO]- 404.20785 211.9
[M+Na-2H]- 366.16867 184.3
[M]+ 345.19345 188.0
[M]- 345.19455 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.