CID 5253

Sotalol

Structural Information

Molecular Formula
C12H20N2O3S
SMILES
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
InChI
InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKey
ZBMZVLHSJCTVON-UHFFFAOYSA-N
Compound name
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2798
References

38940
Patents

272.11948 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12676 161.8
[M+Na]+ 295.10870 169.2
[M+NH4]+ 290.15330 167.5
[M+K]+ 311.08264 164.0
[M-H]- 271.11220 162.0
[M+Na-2H]- 293.09415 165.2
[M]+ 272.11893 163.0
[M]- 272.12003 163.0
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

patents stripe