CID 3054938

1-(2-((3-(4-chlorophenoxy)propyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole

Structural Information

Molecular Formula
C20H19Cl3N2OS
SMILES
C1=CC(=CC=C1OCCCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C20H19Cl3N2OS/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
HMGHNVDNVNCFIY-UHFFFAOYSA-N
Compound name
1-[2-[3-(4-chlorophenoxy)propylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.02838 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.03566 196.7
[M+Na]+ 463.01760 205.4
[M-H]- 439.02110 202.0
[M+NH4]+ 458.06220 207.3
[M+K]+ 478.99154 197.3
[M+H-H2O]+ 423.02564 188.1
[M+HCOO]- 485.02658 197.7
[M+CH3COO]- 499.04223 204.9
[M+Na-2H]- 461.00305 193.1
[M]+ 440.02783 204.4
[M]- 440.02893 204.4
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.