CID 3006866

Chembl3305255

Structural Information

Molecular Formula
C18H15BrCl2N2O
SMILES
C1=CC(=CC=C1OCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C18H15BrCl2N2O/c19-14-1-4-16(5-2-14)24-11-13(10-23-8-7-22-12-23)17-6-3-15(20)9-18(17)21/h1-9,12-13H,10-11H2
InChIKey
HUFOMRFPRSVNOQ-UHFFFAOYSA-N
Compound name
1-[3-(4-bromophenoxy)-2-(2,4-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.9745 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.98178 185.7
[M+Na]+ 446.96372 198.3
[M-H]- 422.96722 194.5
[M+NH4]+ 442.00832 200.2
[M+K]+ 462.93766 183.6
[M+H-H2O]+ 406.97176 183.4
[M+HCOO]- 468.97270 195.7
[M+CH3COO]- 482.98835 197.8
[M+Na-2H]- 444.94917 187.9
[M]+ 423.97395 208.8
[M]- 423.97505 208.8
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.