CID 3054892

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

Structural Information

Molecular Formula
C18H15Cl3N2O2
SMILES
C1=CC=C(C(=C1)OCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O2/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20/h1-9,11,18H,10,12H2
InChIKey
UGAXAWUPMPPQTK-UHFFFAOYSA-N
Compound name
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0199 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.02718 186.0
[M+Na]+ 419.00912 195.1
[M-H]- 395.01262 191.0
[M+NH4]+ 414.05372 197.3
[M+K]+ 434.98306 188.0
[M+H-H2O]+ 379.01716 176.4
[M+HCOO]- 441.01810 192.2
[M+CH3COO]- 455.03375 195.2
[M+Na-2H]- 416.99457 185.8
[M]+ 396.01935 192.4
[M]- 396.02045 192.4
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.