CID 3006900

1h-imidazole, 1-[2-(2,4-dichlorophenyl)-3-phenylpropyl]-

Structural Information

Molecular Formula
C18H16Cl2N2
SMILES
C1=CC=C(C=C1)CC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2/c19-16-6-7-17(18(20)11-16)15(12-22-9-8-21-13-22)10-14-4-2-1-3-5-14/h1-9,11,13,15H,10,12H2
InChIKey
XAGGETAZARUMKO-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-3-phenylpropyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.06906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07634 175.7
[M+Na]+ 353.05828 184.4
[M-H]- 329.06178 181.5
[M+NH4]+ 348.10288 189.5
[M+K]+ 369.03222 176.3
[M+H-H2O]+ 313.06632 165.9
[M+HCOO]- 375.06726 187.0
[M+CH3COO]- 389.08291 186.0
[M+Na-2H]- 351.04373 177.0
[M]+ 330.06851 178.7
[M]- 330.06961 178.7
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.