CID 2773390

135773-25-0

Structural Information

Molecular Formula

C₅H₈IN₃O₂S

SMILES

CN(C)S(=O)(=O)N1C=C(N=C1)I

InChI

InChI=1S/C5H8IN3O2S/c1-8(2)12(10,11)9-3-5(6)7-4-9/h3-4H,1-2H3

InChIKey

HSJHNZMKMJPPGU-UHFFFAOYSA-N

Compound name

4-iodo-N,N-dimethylimidazole-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 300.9382 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]+	301.94548	151.6
[M+Na]+	323.92742	153.4
[M+NH4]+	318.97202	153.9
[M+K]+	339.90136	152.9
[M-H]-	299.93092	144.8
[M+Na-2H]-	321.91287	142.9
[M]+	300.93765	149.0
[M]-	300.93875	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe