CID 4962303

3,5-dimethylisoxazole-4-sulfonamide

Structural Information

Molecular Formula

C₅H₈N₂O₃S

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N

InChI

InChI=1S/C5H8N2O3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3,(H2,6,8,9)

InChIKey

GXRGFHCFXQFLBX-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1,2-oxazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 215
Patents: 176.02556 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]+	177.03284	135.7
[M+Na]+	199.01478	145.4
[M+NH4]+	194.05938	142.4
[M+K]+	214.98872	142.5
[M-H]-	175.01828	136.4
[M+Na-2H]-	197.00023	138.5
[M]+	176.02501	137.5
[M]-	176.02611	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe