CID 504547

Thiazole, 2-acetamido-4-(ethyl-sulfonylmethyl)-

Structural Information

Molecular Formula
C8H12N2O3S2
SMILES
CCS(=O)(=O)CC1=CSC(=N1)NC(=O)C
InChI
InChI=1S/C8H12N2O3S2/c1-3-15(12,13)5-7-4-14-8(10-7)9-6(2)11/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKey
NOMMNGYMTKGDPX-UHFFFAOYSA-N
Compound name
N-[4-(ethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02893 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03621 153.8
[M+Na]+ 271.01815 162.3
[M-H]- 247.02165 156.3
[M+NH4]+ 266.06275 171.9
[M+K]+ 286.99209 158.7
[M+H-H2O]+ 231.02619 147.8
[M+HCOO]- 293.02713 166.5
[M+CH3COO]- 307.04278 189.6
[M+Na-2H]- 269.00360 154.2
[M]+ 248.02838 158.0
[M]- 248.02948 158.0
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.