CID 125483

4-nitrososulfamethoxazole

Structural Information

Molecular Formula

C₁₀H₉N₃O₄S

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O

InChI

InChI=1S/C10H9N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6H,1H3,(H,12,13)

InChIKey

GHNQGDUYHCZZPT-UHFFFAOYSA-N

Compound name

N-(5-methyl-1,2-oxazol-3-yl)-4-nitrosobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 5
Patents: 267.03137 Da
Monoisotopic Mass: 0.9
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]+	268.03865	156.7
[M+Na]+	290.02059	167.4
[M+NH4]+	285.06519	162.9
[M+K]+	305.99453	163.4
[M-H]-	266.02409	160.3
[M+Na-2H]-	288.00604	163.0
[M]+	267.03082	159.4
[M]-	267.03192	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe