CID 200818

2776-47-8

Structural Information

Molecular Formula

C₉H₉N₃O₃S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=NOC=C2

InChI

InChI=1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-15-11-9/h1-6H,10H2,(H,11,12)

InChIKey

GKOXIKLCHCEONU-UHFFFAOYSA-N

Compound name

4-amino-N-(1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 239.03647 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]+	240.04375	148.2
[M+Na]+	262.02569	157.3
[M-H]-	238.02919	154.9
[M+NH4]+	257.07029	164.6
[M+K]+	277.99963	154.9
[M+H-H2O]+	222.03373	141.3
[M+HCOO]-	284.03467	168.7
[M+CH3COO]-	298.05032	188.8
[M+Na-2H]-	260.01114	154.4
[M]+	239.03592	149.9
[M]-	239.03702	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe