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: 4
Patents: 270.10382 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe