CID 3006894

Chembl3305137

Structural Information

Molecular Formula
C18H15Cl3N2
SMILES
C1=CC(=C(C(=C1)Cl)CC(CN2C=CN=C2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2/c19-15-6-4-13(5-7-15)14(11-23-9-8-22-12-23)10-16-17(20)2-1-3-18(16)21/h1-9,12,14H,10-11H2
InChIKey
ASNBFWBLEFAXFH-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-3-(2,6-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0301 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03738 181.7
[M+Na]+ 387.01932 191.1
[M-H]- 363.02282 186.3
[M+NH4]+ 382.06392 194.3
[M+K]+ 402.99326 182.5
[M+H-H2O]+ 347.02736 172.2
[M+HCOO]- 409.02830 187.4
[M+CH3COO]- 423.04395 191.0
[M+Na-2H]- 385.00477 181.1
[M]+ 364.02955 185.3
[M]- 364.03065 185.3
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.