CID 5224548

N-(2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ethyl)pentanamide

Structural Information

Molecular Formula
C10H15Cl3N2OS2
SMILES
CCCCC(=O)NC(C(Cl)(Cl)Cl)SC1=NCCS1
InChI
InChI=1S/C10H15Cl3N2OS2/c1-2-3-4-7(16)15-8(10(11,12)13)18-9-14-5-6-17-9/h8H,2-6H2,1H3,(H,15,16)
InChIKey
OCDBWPXTFUTCAM-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.96915 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97643 174.1
[M+Na]+ 370.95837 179.8
[M-H]- 346.96187 174.9
[M+NH4]+ 366.00297 189.5
[M+K]+ 386.93231 173.9
[M+H-H2O]+ 330.96641 170.3
[M+HCOO]- 392.96735 168.8
[M+CH3COO]- 406.98300 204.6
[M+Na-2H]- 368.94382 170.5
[M]+ 347.96860 177.2
[M]- 347.96970 177.2
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.