CID 491717

1-[2-(2,4-dichlorophenyl)-2-(3,7-dimethyloctoxy)ethyl]imidazole

Structural Information

Molecular Formula
C21H30Cl2N2O
SMILES
CC(C)CCCC(C)CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C21H30Cl2N2O/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/h7-8,10-11,13,15-17,21H,4-6,9,12,14H2,1-3H3
InChIKey
UNLOOUGQKIVCTC-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(3,7-dimethyloctoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.17352 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18080 196.5
[M+Na]+ 419.16274 202.0
[M-H]- 395.16624 198.7
[M+NH4]+ 414.20734 208.1
[M+K]+ 435.13668 195.2
[M+H-H2O]+ 379.17078 187.5
[M+HCOO]- 441.17172 204.1
[M+CH3COO]- 455.18737 222.2
[M+Na-2H]- 417.14819 192.1
[M]+ 396.17297 203.3
[M]- 396.17407 203.3
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.