CID 3006871

Chembl3304982

Structural Information

Molecular Formula
C18H16BrClN2O
SMILES
C1=CC(=CC=C1C(CN2C=CN=C2)COC3=CC=C(C=C3)Cl)Br
InChI
InChI=1S/C18H16BrClN2O/c19-16-3-1-14(2-4-16)15(11-22-10-9-21-13-22)12-23-18-7-5-17(20)6-8-18/h1-10,13,15H,11-12H2
InChIKey
QZQXBPJRFWNOID-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-3-(4-chlorophenoxy)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.01346 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02074 181.8
[M+Na]+ 413.00268 193.0
[M-H]- 389.00618 191.0
[M+NH4]+ 408.04728 196.9
[M+K]+ 428.97662 179.3
[M+H-H2O]+ 373.01072 179.2
[M+HCOO]- 435.01166 196.7
[M+CH3COO]- 449.02731 194.2
[M+Na-2H]- 410.98813 185.3
[M]+ 390.01291 203.6
[M]- 390.01401 203.6
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.