CID 3006903

Chembl3305798

Structural Information

Molecular Formula
C19H17Cl3N2
SMILES
C1=CC(=CC=C1CCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H17Cl3N2/c20-16-5-2-14(3-6-16)1-4-15(12-24-10-9-23-13-24)18-8-7-17(21)11-19(18)22/h2-3,5-11,13,15H,1,4,12H2
InChIKey
KKGHGUUWNLZWRV-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

378.04575 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05303 186.1
[M+Na]+ 401.03497 195.1
[M-H]- 377.03847 190.5
[M+NH4]+ 396.07957 198.2
[M+K]+ 417.00891 186.3
[M+H-H2O]+ 361.04301 176.3
[M+HCOO]- 423.04395 191.5
[M+CH3COO]- 437.05960 195.0
[M+Na-2H]- 399.02042 185.0
[M]+ 378.04520 190.0
[M]- 378.04630 190.0
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

patents stripe