CID 491710

1-[2-(2,4-dichlorophenyl)-2-(3,7-dimethyloct-6-enoxy)ethyl]imidazole

Structural Information

Molecular Formula
C21H28Cl2N2O
SMILES
CC(CCC=C(C)C)CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C21H28Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-8,10-11,13,15,17,21H,4,6,9,12,14H2,1-3H3
InChIKey
PGKFSIISPNTXRE-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(3,7-dimethyloct-6-enoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.15787 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16515 196.1
[M+Na]+ 417.14709 201.9
[M-H]- 393.15059 198.3
[M+NH4]+ 412.19169 207.7
[M+K]+ 433.12103 194.5
[M+H-H2O]+ 377.15513 187.1
[M+HCOO]- 439.15607 203.8
[M+CH3COO]- 453.17172 220.8
[M+Na-2H]- 415.13254 191.6
[M]+ 394.15732 202.1
[M]- 394.15842 202.1
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.