CID 3006889

Chembl3304726

Structural Information

Molecular Formula
C18H16BrClN2
SMILES
C1=CC=C(C(=C1)C(CC2=CC=C(C=C2)Cl)CN3C=CN=C3)Br
InChI
InChI=1S/C18H16BrClN2/c19-18-4-2-1-3-17(18)15(12-22-10-9-21-13-22)11-14-5-7-16(20)8-6-14/h1-10,13,15H,11-12H2
InChIKey
PGVCFGLFTXRWBS-UHFFFAOYSA-N
Compound name
1-[2-(2-bromophenyl)-3-(4-chlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.01855 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02583 179.3
[M+Na]+ 397.00777 190.8
[M-H]- 373.01127 188.5
[M+NH4]+ 392.05237 195.1
[M+K]+ 412.98171 176.4
[M+H-H2O]+ 357.01581 176.9
[M+HCOO]- 419.01675 194.0
[M+CH3COO]- 433.03240 191.9
[M+Na-2H]- 394.99322 182.7
[M]+ 374.01800 199.8
[M]- 374.01910 199.8
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.