CID 3058966

N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)benzamide hydrochloride hydrate

Structural Information

Molecular Formula
C24H34N2O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)C4CCCCC4
InChI
InChI=1S/C24H34N2O5/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/h11,15,17H,3-10,12-14,16H2,1-2H3,(H,25,27)
InChIKey
UCIRZDBOOMZTOC-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.24677 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25405 203.3
[M+Na]+ 453.23599 204.9
[M-H]- 429.23949 211.3
[M+NH4]+ 448.28059 211.9
[M+K]+ 469.20993 202.7
[M+H-H2O]+ 413.24403 192.9
[M+HCOO]- 475.24497 217.6
[M+CH3COO]- 489.26062 229.7
[M+Na-2H]- 451.22144 201.4
[M]+ 430.24622 203.1
[M]- 430.24732 203.1
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.