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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.