CID 101657551

10-dechloro-n-methyldysideathiazole

Structural Information

Molecular Formula
C14H19Cl5N2OS
SMILES
C[C@@H](C[C@@H](C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H19Cl5N2OS/c1-8(12(15)16)6-11(22)21(3)10(13-20-4-5-23-13)7-9(2)14(17,18)19/h4-5,8-10,12H,6-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
PVPMFKJSAWTERQ-GUBZILKMSA-N
Compound name
(3S)-4,4-dichloro-N,3-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.96606 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.97334 191.3
[M+Na]+ 460.95528 194.6
[M-H]- 436.95878 190.6
[M+NH4]+ 455.99988 202.4
[M+K]+ 476.92922 190.9
[M+H-H2O]+ 420.96332 187.5
[M+HCOO]- 482.96426 179.3
[M+CH3COO]- 496.97991 226.8
[M+Na-2H]- 458.94073 183.2
[M]+ 437.96551 194.0
[M]- 437.96661 194.0
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.