CID 3006924

1-[2-(2,4-dichlorophenyl)-3-methyl-pentyl]imidazole

Structural Information

Molecular Formula
C15H18Cl2N2
SMILES
CCC(C)C(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2/c1-3-11(2)14(9-19-7-6-18-10-19)13-5-4-12(16)8-15(13)17/h4-8,10-11,14H,3,9H2,1-2H3
InChIKey
IALSAUDVQGRGOV-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-3-methylpentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.08472 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09200 167.3
[M+Na]+ 319.07394 175.7
[M-H]- 295.07744 170.2
[M+NH4]+ 314.11854 183.0
[M+K]+ 335.04788 169.2
[M+H-H2O]+ 279.08198 159.2
[M+HCOO]- 341.08292 177.5
[M+CH3COO]- 355.09857 202.3
[M+Na-2H]- 317.05939 167.0
[M]+ 296.08417 171.0
[M]- 296.08527 171.0
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.