CID 95825

6339-55-5

Structural Information

Molecular Formula

C₄H₆N₄O₄S

SMILES

CN1C=NC(=C1S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C4H6N4O4S/c1-7-2-6-3(8(9)10)4(7)13(5,11)12/h2H,1H3,(H2,5,11,12)

InChIKey

MWZUIMSIQYBGBM-UHFFFAOYSA-N

Compound name

3-methyl-5-nitroimidazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 206.01097 Da
Monoisotopic Mass: -0.7
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]+	207.01825	136.5
[M+Na]+	229.00019	145.6
[M+NH4]+	224.04479	141.8
[M+K]+	244.97413	146.2
[M-H]-	205.00369	135.9
[M+Na-2H]-	226.98564	139.2
[M]+	206.01042	137.5
[M]-	206.01152	137.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.