CID 136574701

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

Structural Information

Molecular Formula
C4H7N3O2S
SMILES
CC1=C(N=CN1)S(=O)(=O)N
InChI
InChI=1S/C4H7N3O2S/c1-3-4(7-2-6-3)10(5,8)9/h2H,1H3,(H,6,7)(H2,5,8,9)
InChIKey
CCKPVTGGRKQGCJ-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.0259 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03318 130.6
[M+Na]+ 184.01512 140.9
[M-H]- 160.01862 130.9
[M+NH4]+ 179.05972 150.1
[M+K]+ 199.98906 138.0
[M+H-H2O]+ 144.02316 124.9
[M+HCOO]- 206.02410 147.8
[M+CH3COO]- 220.03975 171.0
[M+Na-2H]- 182.00057 134.3
[M]+ 161.02535 130.3
[M]- 161.02645 130.3
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