CID 47858

Acetamide, n-(4,7-dimethoxy-6-(3-piperidinopropoxy)-5-benzofuranyl)-, methanesulfonate

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H28N2O5/c1-14(23)21-16-17(24-2)15-8-13-27-18(15)20(25-3)19(16)26-12-7-11-22-9-5-4-6-10-22/h8,13H,4-7,9-12H2,1-3H3,(H,21,23)
InChIKey
XUECTFCVTKVOCI-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(3-piperidin-1-ylpropoxy)-1-benzofuran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.19983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20711 190.2
[M+Na]+ 399.18905 200.6
[M+NH4]+ 394.23365 195.9
[M+K]+ 415.16299 196.8
[M-H]- 375.19255 193.9
[M+Na-2H]- 397.17450 193.1
[M]+ 376.19928 192.5
[M]- 376.20038 192.5
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.