CID 430932

58497-87-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄S

SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2CC2)O)O

InChI

InChI=1S/C12H18N2O4S/c1-19(17,18)14-10-6-8(2-5-11(10)15)12(16)7-13-9-3-4-9/h2,5-6,9,12-16H,3-4,7H2,1H3

InChIKey

RKHPJJPZCWWKMH-UHFFFAOYSA-N

Compound name

N-[5-[2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 286.09872 Da
Monoisotopic Mass: -0.2
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]+	287.105996	153.2
[M+Na]+	309.087938	160.1
[M-H]-	285.091444	157.8
[M+NH4]+	304.132543	162.7
[M+K]+	325.061878	154.9
[M+H-H2O]+	269.095980	146.9
[M+HCOO]-	331.096921	169.7
[M+CH3COO]-	345.112571	200.8
[M+Na-2H]-	307.073386	156.8
[M]+	286.09817142	156.4
[M]-	286.09926858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.