CID 2736885

1-methyl-1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula
C4H7N3O2S
SMILES
CN1C=C(N=C1)S(=O)(=O)N
InChI
InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKey
QBJSSOBNVYDCDQ-UHFFFAOYSA-N
Compound name
1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

326
Patents

161.0259 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03318 130.1
[M+Na]+ 184.01512 140.8
[M-H]- 160.01862 131.8
[M+NH4]+ 179.05972 150.3
[M+K]+ 199.98906 138.9
[M+H-H2O]+ 144.02316 124.2
[M+HCOO]- 206.02410 148.8
[M+CH3COO]- 220.03975 173.5
[M+Na-2H]- 182.00057 134.3
[M]+ 161.02535 131.6
[M]- 161.02645 131.6
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