CID 3050346

Acetamide, n-(4,7-dimethoxy-6-(2-(octahydro-azocin-1-yl)ethoxy)-5-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C21H30N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C21H30N2O5/c1-15(24)22-17-18(25-2)16-9-13-27-19(16)21(26-3)20(17)28-14-12-23-10-7-5-4-6-8-11-23/h9,13H,4-8,10-12,14H2,1-3H3,(H,22,24)
InChIKey
KQZJSQXVAOYUTK-UHFFFAOYSA-N
Compound name
N-[6-[2-(azocan-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

390.21548 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22276 182.1
[M+Na]+ 413.20470 185.9
[M-H]- 389.20820 185.1
[M+NH4]+ 408.24930 187.2
[M+K]+ 429.17864 186.0
[M+H-H2O]+ 373.21274 176.9
[M+HCOO]- 435.21368 189.8
[M+CH3COO]- 449.22933 239.4
[M+Na-2H]- 411.19015 179.3
[M]+ 390.21493 183.7
[M]- 390.21603 183.7
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.