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]+ 377.207106 188.0
[M+Na]+ 399.189048 192.1
[M-H]- 375.192554 195.8
[M+NH4]+ 394.233653 199.2
[M+K]+ 415.162988 195.2
[M+H-H2O]+ 359.197090 179.9
[M+HCOO]- 421.198031 206.3
[M+CH3COO]- 435.213681 220.0
[M+Na-2H]- 397.174496 188.6
[M]+ 376.19928142 190.2
[M]- 376.20037858 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.