CID 3009151

1-[2-(2,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]imidazole

Structural Information

Molecular Formula
C19H26Cl2N2O
SMILES
CCCCC(CC)COC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H26Cl2N2O/c1-3-5-6-15(4-2)13-24-19(12-23-10-9-22-14-23)17-8-7-16(20)11-18(17)21/h7-11,14-15,19H,3-6,12-13H2,1-2H3
InChIKey
JIYPZYIGHBHWPY-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1422 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14948 188.2
[M+Na]+ 391.13142 194.7
[M-H]- 367.13492 190.5
[M+NH4]+ 386.17602 200.9
[M+K]+ 407.10536 187.9
[M+H-H2O]+ 351.13946 179.2
[M+HCOO]- 413.14040 197.3
[M+CH3COO]- 427.15605 215.6
[M+Na-2H]- 389.11687 185.8
[M]+ 368.14165 194.7
[M]- 368.14275 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.