CID 63946839

4-methyl-2-propanamido-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O3S2
SMILES
CCC(=O)NC1=NC(=C(S1)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H9ClN2O3S2/c1-3-5(11)10-7-9-4(2)6(14-7)15(8,12)13/h3H2,1-2H3,(H,9,10,11)
InChIKey
YMVUJYBFHHOJHS-UHFFFAOYSA-N
Compound name
4-methyl-2-(propanoylamino)-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98158 155.0
[M+Na]+ 290.96352 165.1
[M-H]- 266.96702 158.3
[M+NH4]+ 286.00812 173.4
[M+K]+ 306.93746 160.2
[M+H-H2O]+ 250.97156 150.5
[M+HCOO]- 312.97250 163.5
[M+CH3COO]- 326.98815 191.5
[M+Na-2H]- 288.94897 155.0
[M]+ 267.97375 160.8
[M]- 267.97485 160.8
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.