CID 3006888

Chembl3305413

Structural Information

Molecular Formula
C18H15BrCl2N2
SMILES
C1=CC=C(C(=C1)C(CC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3)Br
InChI
InChI=1S/C18H15BrCl2N2/c19-17-4-2-1-3-16(17)14(11-23-8-7-22-12-23)9-13-5-6-15(20)10-18(13)21/h1-8,10,12,14H,9,11H2
InChIKey
UNIOWGGELLSLOW-UHFFFAOYSA-N
Compound name
1-[2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.97958 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.98686 183.5
[M+Na]+ 430.96880 196.3
[M-H]- 406.97230 192.2
[M+NH4]+ 426.01340 198.7
[M+K]+ 446.94274 180.9
[M+H-H2O]+ 390.97684 181.3
[M+HCOO]- 452.97778 193.3
[M+CH3COO]- 466.99343 195.7
[M+Na-2H]- 428.95425 185.6
[M]+ 407.97903 205.3
[M]- 407.98013 205.3
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.