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 173.0
[M-H]- 299.03596 167.0
[M+NH4]+ 318.07706 179.1
[M+K]+ 339.00640 167.8
[M+H-H2O]+ 283.04050 155.6
[M+HCOO]- 345.04144 175.9
[M+CH3COO]- 359.05709 199.5
[M+Na-2H]- 321.01791 165.7
[M]+ 300.04269 170.0
[M]- 300.04379 170.0
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.