CID 3006839

1-[2-(4-chlorophenyl)pentyl]imidazole

Structural Information

Molecular Formula
C14H17ClN2
SMILES
CCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2/c1-2-3-13(10-17-9-8-16-11-17)12-4-6-14(15)7-5-12/h4-9,11,13H,2-3,10H2,1H3
InChIKey
CYBQYQYGWAIMLN-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.10803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11531 157.2
[M+Na]+ 271.09725 165.1
[M-H]- 247.10075 160.6
[M+NH4]+ 266.14185 174.2
[M+K]+ 287.07119 159.7
[M+H-H2O]+ 231.10529 148.6
[M+HCOO]- 293.10623 173.9
[M+CH3COO]- 307.12188 193.0
[M+Na-2H]- 269.08270 160.0
[M]+ 248.10748 159.7
[M]- 248.10858 159.7
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.