CID 47854

Acetamide, n-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-, methanesulfonate

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN3CCCC3)OC)OC=C2)OC
InChI
InChI=1S/C18H24N2O5/c1-12(21)19-14-15(22-2)13-6-10-24-16(13)18(23-3)17(14)25-11-9-20-7-4-5-8-20/h6,10H,4-5,7-9,11H2,1-3H3,(H,19,21)
InChIKey
KAIJXFXBKJWMLD-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.16852 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 181.2
[M+Na]+ 371.15774 190.9
[M+NH4]+ 366.20234 187.0
[M+K]+ 387.13168 189.9
[M-H]- 347.16124 184.3
[M+Na-2H]- 369.14319 183.8
[M]+ 348.16797 183.1
[M]- 348.16907 183.1
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.