CID 5019568

790272-09-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CC(COC)NS(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C10H16N2O3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3

InChIKey

ZROIZBDHDPRHDR-UHFFFAOYSA-N

Compound name

4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.08817 Da
Monoisotopic Mass: 0.5
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]+	245.095446	152.4
[M+Na]+	267.077388	158.7
[M-H]-	243.080894	155.5
[M+NH4]+	262.121993	169.3
[M+K]+	283.051328	156.1
[M+H-H2O]+	227.085430	145.7
[M+HCOO]-	289.086371	170.9
[M+CH3COO]-	303.102021	194.3
[M+Na-2H]-	265.062836	155.6
[M]+	244.08762142	154.2
[M]-	244.08871858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.