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 180.4
[M+Na]+ 371.15774 187.3
[M-H]- 347.16124 187.9
[M+NH4]+ 366.20234 195.4
[M+K]+ 387.13168 186.3
[M+H-H2O]+ 331.16578 173.1
[M+HCOO]- 393.16672 202.2
[M+CH3COO]- 407.18237 214.2
[M+Na-2H]- 369.14319 180.9
[M]+ 348.16797 187.5
[M]- 348.16907 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.