CID 3050344

Acetamide, n-(4,7-dimethoxy-6-(2-(hexahydro-1h-azepin-1-yl)ethoxy)-5-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H28N2O5/c1-14(23)21-16-17(24-2)15-8-12-26-18(15)20(25-3)19(16)27-13-11-22-9-6-4-5-7-10-22/h8,12H,4-7,9-11,13H2,1-3H3,(H,21,23)
InChIKey
GJXIUTXQJMMUOW-UHFFFAOYSA-N
Compound name
N-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-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 191.2
[M+Na]+ 399.18905 199.4
[M+NH4]+ 394.23365 196.0
[M+K]+ 415.16299 197.1
[M-H]- 375.19255 194.2
[M+Na-2H]- 397.17450 193.6
[M]+ 376.19928 193.0
[M]- 376.20038 193.0
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.