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]+ 232.020906 148.7
[M+Na]+ 254.002848 158.1
[M-H]- 230.006354 152.3
[M+NH4]+ 249.047453 167.4
[M+K]+ 269.976788 154.1
[M+H-H2O]+ 214.010890 143.1
[M+HCOO]- 276.011831 161.5
[M+CH3COO]- 290.027481 180.2
[M+Na-2H]- 251.988296 149.9
[M]+ 231.01308142 148.6
[M]- 231.01417858 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.