CID 2773390

N,n-dimethyl 4-iodo-1h-imidazole-1-sulfonamide

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

77
Patents

300.9382 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.94548 147.0
[M+Na]+ 323.92742 149.9
[M-H]- 299.93092 143.6
[M+NH4]+ 318.97202 161.8
[M+K]+ 339.90136 155.0
[M+H-H2O]+ 283.93546 137.0
[M+HCOO]- 345.93640 161.3
[M+CH3COO]- 359.95205 191.9
[M+Na-2H]- 321.91287 138.8
[M]+ 300.93765 148.5
[M]- 300.93875 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe