CID 2370820

N-(4,5-dihydro-1h-imidazol-2-yl)thiophene-2-sulfonamide

Structural Information

Molecular Formula
C7H9N3O2S2
SMILES
C1CN=C(N1)NS(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C7H9N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-2,5H,3-4H2,(H2,8,9,10)
InChIKey
KBFYUQWUGBNLGM-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1H-imidazol-2-yl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01363 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02091 148.7
[M+Na]+ 254.00285 158.1
[M-H]- 230.00635 152.3
[M+NH4]+ 249.04745 167.4
[M+K]+ 269.97679 154.1
[M+H-H2O]+ 214.01089 143.1
[M+HCOO]- 276.01183 161.5
[M+CH3COO]- 290.02748 180.2
[M+Na-2H]- 251.98830 149.9
[M]+ 231.01308 148.6
[M]- 231.01418 148.6
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

No patent data available for this compound.