CID 75387201

Ethyl({[2-hydroxy-2-(thiophen-3-yl)propyl]sulfamoyl})methylamine

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃S₂

SMILES

CCN(C)S(=O)(=O)NCC(C)(C1=CSC=C1)O

InChI

InChI=1S/C10H18N2O3S2/c1-4-12(3)17(14,15)11-8-10(2,13)9-5-6-16-7-9/h5-7,11,13H,4,8H2,1-3H3

InChIKey

DGHWIMWERYFPPB-UHFFFAOYSA-N

Compound name

3-[1-[[ethyl(methyl)sulfamoyl]amino]-2-hydroxypropan-2-yl]thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 278.0759 Da
Monoisotopic Mass: 0.3
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]+	279.083176	163.6
[M+Na]+	301.065118	169.2
[M-H]-	277.068624	166.5
[M+NH4]+	296.109723	180.9
[M+K]+	317.039058	166.0
[M+H-H2O]+	261.073160	157.4
[M+HCOO]-	323.074101	176.0
[M+CH3COO]-	337.089751	198.6
[M+Na-2H]-	299.050566	165.9
[M]+	278.07535142	167.0
[M]-	278.07644858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.