CID 431383

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

Structural Information

Molecular Formula
C17H23ClN2
SMILES
CCCCCCC(CN1C=CN=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H23ClN2/c1-2-3-4-5-8-15(13-20-12-11-19-14-20)16-9-6-7-10-17(16)18/h6-7,9-12,14-15H,2-5,8,13H2,1H3
InChIKey
QJGZTBVDASXANC-UHFFFAOYSA-N
Compound name
1-[2-(2-chlorophenyl)octyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.15497 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16225 171.0
[M+Na]+ 313.14419 177.6
[M-H]- 289.14769 173.8
[M+NH4]+ 308.18879 186.3
[M+K]+ 329.11813 171.4
[M+H-H2O]+ 273.15223 161.8
[M+HCOO]- 335.15317 186.7
[M+CH3COO]- 349.16882 201.9
[M+Na-2H]- 311.12964 172.2
[M]+ 290.15442 174.5
[M]- 290.15552 174.5
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