CID 3041784

Methanesulfonanilide, 5'-(2-(1-benzylcyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₄S

SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2(CC2)CC3=CC=CC=C3)O)O

InChI

InChI=1S/C19H24N2O4S/c1-26(24,25)21-16-11-15(7-8-17(16)22)18(23)13-20-19(9-10-19)12-14-5-3-2-4-6-14/h2-8,11,18,20-23H,9-10,12-13H2,1H3

InChIKey

UMDQAHHCAXBNNT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 376.1457 Da
Monoisotopic Mass: 1.6
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]+	377.152976	175.2
[M+Na]+	399.134918	181.1
[M-H]-	375.138424	182.1
[M+NH4]+	394.179523	182.7
[M+K]+	415.108858	176.0
[M+H-H2O]+	359.142960	168.9
[M+HCOO]-	421.143901	190.9
[M+CH3COO]-	435.159551	216.4
[M+Na-2H]-	397.120366	180.1
[M]+	376.14515142	179.0
[M]-	376.14624858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.