CID 3038102

1-(2-(2,4-dichlorophenyl)-2-(hexyloxy)ethenyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C17H20Cl2N2O
SMILES
CCCCCCO/C(=C/N1C=CN=C1)/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H20Cl2N2O/c1-2-3-4-5-10-22-17(12-21-9-8-20-13-21)15-7-6-14(18)11-16(15)19/h6-9,11-13H,2-5,10H2,1H3/b17-12+
InChIKey
TVEHQLKBYOIRFI-SFQUDFHCSA-N
Compound name
1-[(E)-2-(2,4-dichlorophenyl)-2-hexoxyethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09528 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10256 179.2
[M+Na]+ 361.08450 187.3
[M-H]- 337.08800 181.8
[M+NH4]+ 356.12910 193.2
[M+K]+ 377.05844 179.9
[M+H-H2O]+ 321.09254 170.5
[M+HCOO]- 383.09348 190.1
[M+CH3COO]- 397.10913 207.7
[M+Na-2H]- 359.06995 178.9
[M]+ 338.09473 184.7
[M]- 338.09583 184.7
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.