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]+ 318.169996 174.3
[M+Na]+ 340.151938 180.9
[M-H]- 316.155444 180.9
[M+NH4]+ 335.196543 188.8
[M+K]+ 356.125878 179.0
[M+H-H2O]+ 300.159980 166.1
[M+HCOO]- 362.160921 192.7
[M+CH3COO]- 376.176571 206.0
[M+Na-2H]- 338.137386 176.0
[M]+ 317.16217142 178.0
[M]- 317.16326858 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.