CID 101631562

Dofetilide n-oxide

Structural Information

Molecular Formula
C19H27N3O6S2
SMILES
C[N+](CCC1=CC=C(C=C1)NS(=O)(=O)C)(CCOC2=CC=C(C=C2)NS(=O)(=O)C)[O-]
InChI
InChI=1S/C19H27N3O6S2/c1-22(23,13-12-16-4-6-17(7-5-16)20-29(2,24)25)14-15-28-19-10-8-18(9-11-19)21-30(3,26)27/h4-11,20-21H,12-15H2,1-3H3
InChIKey
AYRPGSAYHYJPGA-UHFFFAOYSA-N
Compound name
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-[4-(methanesulfonamido)phenyl]-N-methylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.13412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.14140 198.3
[M+Na]+ 480.12334 206.5
[M+NH4]+ 475.16794 202.6
[M+K]+ 496.09728 201.4
[M-H]- 456.12684 200.8
[M+Na-2H]- 478.10879 204.1
[M]+ 457.13357 200.8
[M]- 457.13467 200.8
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

No patent data available for this compound.