CID 71757215

1-(propan-2-yl)-1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula
C6H11N3O2S
SMILES
CC(C)N1C=C(N=C1)S(=O)(=O)N
InChI
InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKey
DEJLCHRMKBBNPV-UHFFFAOYSA-N
Compound name
1-propan-2-ylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.0572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06448 140.2
[M+Na]+ 212.04642 148.8
[M+NH4]+ 207.09102 146.4
[M+K]+ 228.02036 145.8
[M-H]- 188.04992 138.9
[M+Na-2H]- 210.03187 143.2
[M]+ 189.05665 141.1
[M]- 189.05775 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe