CID 120569

1784-16-3

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃S

SMILES

C1COCCN1CCNS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H19N3O3S/c13-11-1-3-12(4-2-11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10,13H2

InChIKey

VZARKMIVYCQLLB-UHFFFAOYSA-N

Compound name

4-amino-N-(2-morpholin-4-ylethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 285.11472 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]+	286.121996	162.4
[M+Na]+	308.103938	166.9
[M-H]-	284.107444	166.9
[M+NH4]+	303.148543	174.5
[M+K]+	324.077878	164.1
[M+H-H2O]+	268.111980	154.2
[M+HCOO]-	330.112921	176.8
[M+CH3COO]-	344.128571	199.2
[M+Na-2H]-	306.089386	166.9
[M]+	285.11417142	160.0
[M]-	285.11526858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe