CID 53408

Benzamide, n-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C24H28N2O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H28N2O5/c1-28-20-18-11-15-30-21(18)23(29-2)22(31-16-14-26-12-7-4-8-13-26)19(20)25-24(27)17-9-5-3-6-10-17/h3,5-6,9-11,15H,4,7-8,12-14,16H2,1-2H3,(H,25,27)
InChIKey
YZJPJBNYJGRSCS-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.19983 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 201.1
[M+Na]+ 447.18905 205.7
[M-H]- 423.19255 210.5
[M+NH4]+ 442.23365 210.2
[M+K]+ 463.16299 203.1
[M+H-H2O]+ 407.19709 190.6
[M+HCOO]- 469.19803 219.7
[M+CH3COO]- 483.21368 228.5
[M+Na-2H]- 445.17450 202.0
[M]+ 424.19928 205.1
[M]- 424.20038 205.1
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.