CID 24377

Schembl613507

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃S

SMILES

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

InChI

InChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3

InChIKey

YTDJNWMSAAWJDD-UHFFFAOYSA-N

Compound name

N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 927
Patents: 258.10382 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]+	259.111096	156.6
[M+Na]+	281.093038	161.7
[M-H]-	257.096544	158.6
[M+NH4]+	276.137643	172.3
[M+K]+	297.066978	158.9
[M+H-H2O]+	241.101080	150.0
[M+HCOO]-	303.102021	172.8
[M+CH3COO]-	317.117671	196.4
[M+Na-2H]-	279.078486	158.9
[M]+	258.10327142	157.3
[M]-	258.10436858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe