CID 11086835

Oxo sotalol

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CC(C)NCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C12H18N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,13-14H,8H2,1-3H3
InChIKey
BKXGLPPAZWSLEH-UHFFFAOYSA-N
Compound name
N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.10382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 160.0
[M+Na]+ 293.09304 165.5
[M-H]- 269.09654 163.4
[M+NH4]+ 288.13764 176.0
[M+K]+ 309.06698 162.7
[M+H-H2O]+ 253.10108 153.1
[M+HCOO]- 315.10202 177.6
[M+CH3COO]- 329.11767 200.9
[M+Na-2H]- 291.07849 162.3
[M]+ 270.10327 162.3
[M]- 270.10437 162.3
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.