CID 3006882

Chembl3305312

Structural Information

Molecular Formula
C20H19BrCl2N2O
SMILES
C1=CC=C(C(=C1)OCCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C20H19BrCl2N2O/c21-18-5-1-2-6-20(18)26-11-3-4-15(13-25-10-9-24-14-25)17-8-7-16(22)12-19(17)23/h1-2,5-10,12,14-15H,3-4,11,13H2
InChIKey
ZGMJMWVNQQBUJX-UHFFFAOYSA-N
Compound name
1-[5-(2-bromophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.00577 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.01305 194.7
[M+Na]+ 474.99499 206.4
[M-H]- 450.99849 203.1
[M+NH4]+ 470.03959 208.1
[M+K]+ 490.96893 191.2
[M+H-H2O]+ 435.00303 191.9
[M+HCOO]- 497.00397 203.9
[M+CH3COO]- 511.01962 205.8
[M+Na-2H]- 472.98044 195.8
[M]+ 452.00522 218.3
[M]- 452.00632 218.3
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.