CID 167600

Deoxysotalol hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂S

SMILES

CC(C)NCCC1=CC=C(C=C1)NS(=O)(=O)C

InChI

InChI=1S/C12H20N2O2S/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16/h4-7,10,13-14H,8-9H2,1-3H3

InChIKey

HCLCHPYEDZTGMF-UHFFFAOYSA-N

Compound name

N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 256.12454 Da
Monoisotopic Mass: 1.5
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]+	257.13182	157.7
[M+Na]+	279.11376	163.4
[M-H]-	255.11726	161.1
[M+NH4]+	274.15836	174.6
[M+K]+	295.08770	160.2
[M+H-H2O]+	239.12180	150.9
[M+HCOO]-	301.12274	176.0
[M+CH3COO]-	315.13839	198.8
[M+Na-2H]-	277.09921	160.9
[M]+	256.12399	159.9
[M]-	256.12509	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe