CID 6476765

1-[2-(2,4-dichlorophenyl)-2-[(3z)-4,8-dimethylnona-3,7-dienoxy]ethyl]imidazole

Structural Information

Molecular Formula
C22H28Cl2N2O
SMILES
CC(=CCC/C(=C\CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C)C
InChI
InChI=1S/C22H28Cl2N2O/c1-17(2)6-4-7-18(3)8-5-13-27-22(15-26-12-11-25-16-26)20-10-9-19(23)14-21(20)24/h6,8-12,14,16,22H,4-5,7,13,15H2,1-3H3/b18-8-
InChIKey
LWRMZJFWSOUQEO-LSCVHKIXSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(3Z)-4,8-dimethylnona-3,7-dienoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.15787 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16515 200.1
[M+Na]+ 429.14709 205.8
[M-H]- 405.15059 202.2
[M+NH4]+ 424.19169 211.2
[M+K]+ 445.12103 197.6
[M+H-H2O]+ 389.15513 191.0
[M+HCOO]- 451.15607 207.7
[M+CH3COO]- 465.17172 222.2
[M+Na-2H]- 427.13254 195.1
[M]+ 406.15732 205.6
[M]- 406.15842 205.6
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.