CID 1360

1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole

Structural Information

Molecular Formula
C16H21ClN2O2
SMILES
COC1=CC(=C(C=C1)OCCCCCCN2C=CN=C2)Cl
InChI
InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKey
UKVVEWLDHJDSNJ-UHFFFAOYSA-N
Compound name
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

308.12915 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13643 171.8
[M+Na]+ 331.11837 179.8
[M-H]- 307.12187 175.2
[M+NH4]+ 326.16297 186.6
[M+K]+ 347.09231 174.6
[M+H-H2O]+ 291.12641 162.7
[M+HCOO]- 353.12735 189.3
[M+CH3COO]- 367.14300 203.1
[M+Na-2H]- 329.10382 174.1
[M]+ 308.12860 178.8
[M]- 308.12970 178.8
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