CID 101657552

9,10-didechloro-n-methyldysideathiazole

Structural Information

Molecular Formula
C14H20Cl4N2OS
SMILES
C[C@@H](C[C@@H](C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C14H20Cl4N2OS/c1-8(12(15)16)6-10(14-19-4-5-22-14)20(3)11(21)7-9(2)13(17)18/h4-5,8-10,12-13H,6-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
JRFXZSKOZMIYDX-GUBZILKMSA-N
Compound name
(3S)-4,4-dichloro-N-[(1S,3S)-4,4-dichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]-N,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.00504 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01232 184.0
[M+Na]+ 426.99426 187.7
[M-H]- 402.99776 184.8
[M+NH4]+ 422.03886 197.0
[M+K]+ 442.96820 183.8
[M+H-H2O]+ 387.00230 179.9
[M+HCOO]- 449.00324 177.6
[M+CH3COO]- 463.01889 223.3
[M+Na-2H]- 424.97971 175.5
[M]+ 404.00449 188.9
[M]- 404.00559 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.