CID 3006823

1-[2-(2-chlorophenyl)hexyl]imidazole

Structural Information

Molecular Formula
C15H19ClN2
SMILES
CCCCC(CN1C=CN=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H19ClN2/c1-2-3-6-13(11-18-10-9-17-12-18)14-7-4-5-8-15(14)16/h4-5,7-10,12-13H,2-3,6,11H2,1H3
InChIKey
QHNMYBCLFWIHHR-UHFFFAOYSA-N
Compound name
1-[2-(2-chlorophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

patents stripe