CID 3068290

3-(o-chlorophenoxy)-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.02718 188.1
[M+Na]+ 419.00912 197.3
[M-H]- 395.01262 192.1
[M+NH4]+ 414.05372 198.9
[M+K]+ 434.98306 189.5
[M+H-H2O]+ 379.01716 179.1
[M+HCOO]- 441.01810 192.2
[M+CH3COO]- 455.03375 196.8
[M+Na-2H]- 416.99457 189.3
[M]+ 396.01935 192.7
[M]- 396.02045 192.7
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.