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]+ 268.981576 155.0
[M+Na]+ 290.963518 165.1
[M-H]- 266.967024 158.3
[M+NH4]+ 286.008123 173.4
[M+K]+ 306.937458 160.2
[M+H-H2O]+ 250.971560 150.5
[M+HCOO]- 312.972501 163.5
[M+CH3COO]- 326.988151 191.5
[M+Na-2H]- 288.948966 155.0
[M]+ 267.97375142 160.8
[M]- 267.97484858 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.