CID 38727

Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCCCC3
InChI
InChI=1S/C18H23NO4/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKey
GCWVFAKIMDGKKD-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

317.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 174.3
[M+Na]+ 340.15194 180.9
[M-H]- 316.15544 180.9
[M+NH4]+ 335.19654 188.8
[M+K]+ 356.12588 179.0
[M+H-H2O]+ 300.15998 166.1
[M+HCOO]- 362.16092 192.7
[M+CH3COO]- 376.17657 206.0
[M+Na-2H]- 338.13739 176.0
[M]+ 317.16217 178.0
[M]- 317.16327 178.0
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.