CID 26162

Soterenol hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₄S

SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3

InChIKey

HHRNQOGXBRYCHF-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 3229
Patents: 288.11438 Da
Monoisotopic Mass: 0.1
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]+	289.12166	163.6
[M+Na]+	311.10360	168.3
[M-H]-	287.10710	164.2
[M+NH4]+	306.14820	177.5
[M+K]+	327.07754	165.2
[M+H-H2O]+	271.11164	157.1
[M+HCOO]-	333.11258	178.1
[M+CH3COO]-	347.12823	200.6
[M+Na-2H]-	309.08905	164.6
[M]+	288.11383	164.5
[M]-	288.11493	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe