CID 10255437

Debutyldronedarone

Structural Information

Molecular Formula
C27H36N2O5S
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCNCCCC
InChI
InChI=1S/C27H36N2O5S/c1-4-6-9-25-26(23-19-21(29-35(3,31)32)12-15-24(23)34-25)27(30)20-10-13-22(14-11-20)33-18-8-17-28-16-7-5-2/h10-15,19,28-29H,4-9,16-18H2,1-3H3
InChIKey
IJVZZGIAELTWBB-UHFFFAOYSA-N
Compound name
N-[2-butyl-3-[4-[3-(butylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

500.2345 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.24178 224.4
[M+Na]+ 523.22372 233.9
[M+NH4]+ 518.26832 228.8
[M+K]+ 539.19766 227.0
[M-H]- 499.22722 228.4
[M+Na-2H]- 521.20917 227.8
[M]+ 500.23395 227.2
[M]- 500.23505 227.2
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