CID 3006875

Chembl3305289

Structural Information

Molecular Formula
C19H17BrCl2N2O
SMILES
C1=CC(=CC=C1OCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C19H17BrCl2N2O/c20-15-1-4-17(5-2-15)25-10-7-14(12-24-9-8-23-13-24)18-6-3-16(21)11-19(18)22/h1-6,8-9,11,13-14H,7,10,12H2
InChIKey
FVEQGTXOBNBFPK-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.99014 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.99742 190.2
[M+Na]+ 460.97936 202.4
[M-H]- 436.98286 198.8
[M+NH4]+ 456.02396 204.2
[M+K]+ 476.95330 187.4
[M+H-H2O]+ 420.98740 187.6
[M+HCOO]- 482.98834 199.8
[M+CH3COO]- 497.00399 201.8
[M+Na-2H]- 458.96481 191.9
[M]+ 437.98959 213.5
[M]- 437.99069 213.5
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.