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 195.9
[M+Na]+ 478.99474 205.0
[M-H]- 454.99824 201.4
[M+NH4]+ 474.03934 206.6
[M+K]+ 494.96868 195.9
[M+H-H2O]+ 439.00278 188.8
[M+HCOO]- 501.00372 192.1
[M+CH3COO]- 515.01937 203.8
[M+Na-2H]- 476.98019 190.9
[M]+ 456.00497 202.9
[M]- 456.00607 202.9
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.