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 188.0
[M+Na]+ 399.18905 192.1
[M-H]- 375.19255 195.8
[M+NH4]+ 394.23365 199.2
[M+K]+ 415.16299 195.2
[M+H-H2O]+ 359.19709 179.9
[M+HCOO]- 421.19803 206.3
[M+CH3COO]- 435.21368 220.0
[M+Na-2H]- 397.17450 188.6
[M]+ 376.19928 190.2
[M]- 376.20038 190.2
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.