CID 6482080

1-[2-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
COC1=CC=C(C=C1)C(CC2=C(C=CC=C2Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C18H16Cl2N2O/c1-23-14-7-5-13(6-8-14)18(22-10-9-21-12-22)11-15-16(19)3-2-4-17(15)20/h2-10,12,18H,11H2,1H3
InChIKey
CEEWXYQEXWCYES-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 178.5
[M+Na]+ 369.05318 188.0
[M-H]- 345.05668 184.8
[M+NH4]+ 364.09778 191.9
[M+K]+ 385.02712 180.5
[M+H-H2O]+ 329.06122 168.9
[M+HCOO]- 391.06216 190.1
[M+CH3COO]- 405.07781 189.1
[M+Na-2H]- 367.03863 179.2
[M]+ 346.06341 183.3
[M]- 346.06451 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.