CID 3006840

1h-imidazole, 1-[2-(4-chlorophenyl)hexyl]-

Structural Information

Molecular Formula
C15H19ClN2
SMILES
CCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H19ClN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3
InChIKey
LZRXKNVNEDCFOV-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1237 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13098 161.8
[M+Na]+ 285.11292 169.3
[M-H]- 261.11642 165.0
[M+NH4]+ 280.15752 178.2
[M+K]+ 301.08686 163.6
[M+H-H2O]+ 245.12096 153.0
[M+HCOO]- 307.12190 178.2
[M+CH3COO]- 321.13755 196.0
[M+Na-2H]- 283.09837 164.1
[M]+ 262.12315 164.6
[M]- 262.12425 164.6
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.