CID 327195

1-[4-(4-bromophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole

Structural Information

Molecular Formula
C19H17BrCl2N2
SMILES
C1=CC(=CC=C1CCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C19H17BrCl2N2/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
GLPUKJFKRFMDSY-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.9952 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.00248 188.0
[M+Na]+ 444.98442 200.4
[M-H]- 420.98792 196.5
[M+NH4]+ 440.02902 202.7
[M+K]+ 460.95836 184.8
[M+H-H2O]+ 404.99246 185.6
[M+HCOO]- 466.99340 197.4
[M+CH3COO]- 481.00905 199.7
[M+Na-2H]- 442.96987 189.6
[M]+ 421.99465 210.1
[M]- 421.99575 210.1
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.