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

1
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

patents stripe