CID 3006895

Chembl3304635

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe