CID 47858

Acetamide, n-(4,7-dimethoxy-6-(3-piperidinopropoxy)-5-benzofuranyl)-, methanesulfonate

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H28N2O5/c1-14(23)21-16-17(24-2)15-8-13-27-18(15)20(25-3)19(16)26-12-7-11-22-9-5-4-6-10-22/h8,13H,4-7,9-12H2,1-3H3,(H,21,23)
InChIKey
XUECTFCVTKVOCI-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(3-piperidin-1-ylpropoxy)-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]+ 377.20711 189.6
[M+Na]+ 399.18905 194.9
[M-H]- 375.19255 196.0
[M+NH4]+ 394.23365 201.4
[M+K]+ 415.16299 193.4
[M+H-H2O]+ 359.19709 180.7
[M+HCOO]- 421.19803 208.4
[M+CH3COO]- 435.21368 220.6
[M+Na-2H]- 397.17450 190.4
[M]+ 376.19928 195.1
[M]- 376.20038 195.1
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.