CID 3054940

71821-48-2

Structural Information

Molecular Formula
C20H19Cl3N2S2
SMILES
C1=CC(=CC=C1SCCCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C20H19Cl3N2S2/c21-15-2-5-17(6-3-15)26-10-1-11-27-20(13-25-9-8-24-14-25)18-7-4-16(22)12-19(18)23/h2-9,12,14,20H,1,10-11,13H2
InChIKey
JYXODIWLCYYIFM-UHFFFAOYSA-N
Compound name
1-[2-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.00552 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.01280 205.7
[M+Na]+ 478.99474 221.5
[M+NH4]+ 474.03934 214.7
[M+K]+ 494.96868 207.9
[M-H]- 454.99824 211.2
[M+Na-2H]- 476.98019 213.1
[M]+ 456.00497 211.4
[M]- 456.00607 211.4
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.