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

1
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

patents stripe