CID 3006879

Chembl3305296

Structural Information

Molecular Formula
C20H19Cl3N2O
SMILES
C1=CC(=CC=C1OCCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C20H19Cl3N2O/c21-16-3-6-18(7-4-16)26-11-1-2-15(13-25-10-9-24-14-25)19-8-5-17(22)12-20(19)23/h3-10,12,14-15H,1-2,11,13H2
InChIKey
DUFVHGNXDANSDR-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.0563 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.06358 192.8
[M+Na]+ 431.04552 201.2
[M-H]- 407.04902 197.2
[M+NH4]+ 426.09012 203.7
[M+K]+ 447.01946 192.9
[M+H-H2O]+ 391.05356 182.8
[M+HCOO]- 453.05450 198.1
[M+CH3COO]- 467.07015 201.2
[M+Na-2H]- 429.03097 191.3
[M]+ 408.05575 198.4
[M]- 408.05685 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.