CID 3006878

Chembl3304780

Structural Information

Molecular Formula
C20H19Cl2FN2O
SMILES
C1=CC(=CC=C1OCCCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C20H19Cl2FN2O/c21-16-3-8-19(20(22)12-16)15(13-25-10-9-24-14-25)2-1-11-26-18-6-4-17(23)5-7-18/h3-10,12,14-15H,1-2,11,13H2
InChIKey
CYFZNKRXYURGMF-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-5-(4-fluorophenoxy)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.08585 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09313 189.4
[M+Na]+ 415.07507 197.9
[M-H]- 391.07857 193.9
[M+NH4]+ 410.11967 200.8
[M+K]+ 431.04901 189.6
[M+H-H2O]+ 375.08311 178.3
[M+HCOO]- 437.08405 199.2
[M+CH3COO]- 451.09970 198.5
[M+Na-2H]- 413.06052 188.4
[M]+ 392.08530 193.9
[M]- 392.08640 193.9
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.