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]+ 425.207106 201.1
[M+Na]+ 447.189048 205.7
[M-H]- 423.192554 210.5
[M+NH4]+ 442.233653 210.2
[M+K]+ 463.162988 203.1
[M+H-H2O]+ 407.197090 190.6
[M+HCOO]- 469.198031 219.7
[M+CH3COO]- 483.213681 228.5
[M+Na-2H]- 445.174496 202.0
[M]+ 424.19928142 205.1
[M]- 424.20037858 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.