CID 3054989

1-(2-(2,4-dichlorophenyl)-2-(methoxymethoxy)ethyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C13H14Cl2N2O2
SMILES
COCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O2/c1-18-9-19-13(7-17-5-4-16-8-17)11-3-2-10(14)6-12(11)15/h2-6,8,13H,7,9H2,1H3
InChIKey
LXBSMZGKUFDAEX-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(methoxymethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04324 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05052 163.7
[M+Na]+ 323.03246 178.1
[M+NH4]+ 318.07706 171.6
[M+K]+ 339.00640 172.0
[M-H]- 299.03596 165.9
[M+Na-2H]- 321.01791 171.1
[M]+ 300.04269 167.0
[M]- 300.04379 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.