CID 3012220

Chembl186299

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
C1=CC=C(C=C1)C(CCN2C=CN=C2)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O/c19-15-6-7-18(16(20)12-15)23-17(14-4-2-1-3-5-14)8-10-22-11-9-21-13-22/h1-7,9,11-13,17H,8,10H2
InChIKey
TZSSTDCLMNYHMK-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.06396 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07124 178.4
[M+Na]+ 369.05318 186.9
[M-H]- 345.05668 184.2
[M+NH4]+ 364.09778 191.4
[M+K]+ 385.02712 179.4
[M+H-H2O]+ 329.06122 168.5
[M+HCOO]- 391.06216 189.9
[M+CH3COO]- 405.07781 188.5
[M+Na-2H]- 367.03863 179.8
[M]+ 346.06341 182.8
[M]- 346.06451 182.8
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.