CID 64182312

2-(4-methyl-1,3-thiazol-5-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C6H10N2O2S2
SMILES
CC1=C(SC=N1)CCS(=O)(=O)N
InChI
InChI=1S/C6H10N2O2S2/c1-5-6(11-4-8-5)2-3-12(7,9)10/h4H,2-3H2,1H3,(H2,7,9,10)
InChIKey
XEHUYHBEUDNCKL-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

206.01837 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.025646 142.1
[M+Na]+ 229.007588 151.9
[M-H]- 205.011094 144.4
[M+NH4]+ 224.052193 161.9
[M+K]+ 244.981528 147.9
[M+H-H2O]+ 189.015630 136.5
[M+HCOO]- 251.016571 155.6
[M+CH3COO]- 265.032221 181.7
[M+Na-2H]- 226.993036 143.1
[M]+ 206.01782142 144.6
[M]- 206.01891858 144.6
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

patents stripe