CID 3006842

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

Structural Information

Molecular Formula
C17H23ClN2
SMILES
CCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H23ClN2/c1-2-3-4-5-6-16(13-20-12-11-19-14-20)15-7-9-17(18)10-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKey
KMBVFTSXAPWXDP-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)octyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.