CID 3054934

1-(beta-((5'-chlorpyridyl-2'-thio-2-aethylthio)-2,4-dichlorphenaethyl))-imidazol [german]

Structural Information

Molecular Formula
C18H16Cl3N3S2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)SCCSC3=NC=C(C=C3)Cl
InChI
InChI=1S/C18H16Cl3N3S2/c19-13-1-3-15(16(21)9-13)17(11-24-6-5-22-12-24)25-7-8-26-18-4-2-14(20)10-23-18/h1-6,9-10,12,17H,7-8,11H2
InChIKey
CFEUYKKOHADPCZ-UHFFFAOYSA-N
Compound name
5-chloro-2-[2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylethylsulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.98514 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.99242 189.7
[M+Na]+ 465.97436 199.5
[M-H]- 441.97786 194.2
[M+NH4]+ 461.01896 199.6
[M+K]+ 481.94830 190.9
[M+H-H2O]+ 425.98240 182.1
[M+HCOO]- 487.98334 185.2
[M+CH3COO]- 501.99899 197.7
[M+Na-2H]- 463.95981 185.6
[M]+ 442.98459 196.2
[M]- 442.98569 196.2
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.