CID 101657549

N-methyldysideathiazole

Structural Information

Molecular Formula
C14H18Cl6N2OS
SMILES
C[C@@H](C[C@@H](C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H18Cl6N2OS/c1-8(13(15,16)17)6-10(12-21-4-5-24-12)22(3)11(23)7-9(2)14(18,19)20/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
JECCGIIKQAYOFQ-GUBZILKMSA-N
Compound name
(3S)-4,4,4-trichloro-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

471.9271 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.93438 201.0
[M+Na]+ 494.91632 203.4
[M-H]- 470.91982 198.5
[M+NH4]+ 489.96092 209.9
[M+K]+ 510.89026 200.5
[M+H-H2O]+ 454.92436 197.1
[M+HCOO]- 516.92530 183.7
[M+CH3COO]- 530.94095 230.4
[M+Na-2H]- 492.90177 192.8
[M]+ 471.92655 200.5
[M]- 471.92765 200.5
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.