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]+ 431.254046 203.3
[M+Na]+ 453.235988 204.9
[M-H]- 429.239494 211.3
[M+NH4]+ 448.280593 211.9
[M+K]+ 469.209928 202.7
[M+H-H2O]+ 413.244030 192.9
[M+HCOO]- 475.244971 217.6
[M+CH3COO]- 489.260621 229.7
[M+Na-2H]- 451.221436 201.4
[M]+ 430.24622142 203.1
[M]- 430.24731858 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.