CID 10095002

N,n'-didebutyl-dronedarone

Structural Information

Molecular Formula
C23H28N2O5S
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN
InChI
InChI=1S/C23H28N2O5S/c1-3-4-6-21-22(19-15-17(25-31(2,27)28)9-12-20(19)30-21)23(26)16-7-10-18(11-8-16)29-14-5-13-24/h7-12,15,25H,3-6,13-14,24H2,1-2H3
InChIKey
TVLGVJVGVCTVFI-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-aminopropoxy)benzoyl]-2-butyl-1-benzofuran-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

444.1719 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17918 208.0
[M+Na]+ 467.16112 214.7
[M-H]- 443.16462 215.9
[M+NH4]+ 462.20572 218.4
[M+K]+ 483.13506 210.8
[M+H-H2O]+ 427.16916 200.0
[M+HCOO]- 489.17010 225.5
[M+CH3COO]- 503.18575 233.8
[M+Na-2H]- 465.14657 209.2
[M]+ 444.17135 217.0
[M]- 444.17245 217.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe