CID 3068296

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

Structural Information

Molecular Formula
C18H14Cl4N2O2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H14Cl4N2O2/c19-12-4-5-13(15(21)8-12)18(25,9-24-7-6-23-11-24)10-26-16-3-1-2-14(20)17(16)22/h1-8,11,25H,9-10H2
InChIKey
LZPRZXBMDHIPJM-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenoxy)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.98093 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.98821 198.1
[M+Na]+ 452.97015 213.9
[M+NH4]+ 448.01475 205.1
[M+K]+ 468.94409 205.8
[M-H]- 428.97365 201.0
[M+Na-2H]- 450.95560 205.6
[M]+ 429.98038 202.4
[M]- 429.98148 202.4
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.