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]+ 349.175796 180.4
[M+Na]+ 371.157738 187.3
[M-H]- 347.161244 187.9
[M+NH4]+ 366.202343 195.4
[M+K]+ 387.131678 186.3
[M+H-H2O]+ 331.165780 173.1
[M+HCOO]- 393.166721 202.2
[M+CH3COO]- 407.182371 214.2
[M+Na-2H]- 369.143186 180.9
[M]+ 348.16797142 187.5
[M]- 348.16906858 187.5
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.