CID 3006870

Chembl3304644

Structural Information

Molecular Formula
C18H15Cl3N2O
SMILES
C1=CC(=CC=C1OCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O/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
YTNYLLZUPCLXLD-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.025 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03228 184.0
[M+Na]+ 403.01422 193.2
[M-H]- 379.01772 188.8
[M+NH4]+ 398.05882 196.0
[M+K]+ 418.98816 185.4
[M+H-H2O]+ 363.02226 174.4
[M+HCOO]- 425.02320 190.0
[M+CH3COO]- 439.03885 193.3
[M+Na-2H]- 400.99967 183.6
[M]+ 380.02445 189.0
[M]- 380.02555 189.0
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.