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]+ 377.207106 189.6
[M+Na]+ 399.189048 194.9
[M-H]- 375.192554 196.0
[M+NH4]+ 394.233653 201.4
[M+K]+ 415.162988 193.4
[M+H-H2O]+ 359.197090 180.7
[M+HCOO]- 421.198031 208.4
[M+CH3COO]- 435.213681 220.6
[M+Na-2H]- 397.174496 190.4
[M]+ 376.19928142 195.1
[M]- 376.20037858 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.