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 193.8
[M+Na]+ 452.97015 203.2
[M-H]- 428.97365 196.3
[M+NH4]+ 448.01475 203.3
[M+K]+ 468.94409 195.7
[M+H-H2O]+ 412.97819 185.1
[M+HCOO]- 474.97913 192.3
[M+CH3COO]- 488.99478 201.3
[M+Na-2H]- 450.95560 192.9
[M]+ 429.98038 197.9
[M]- 429.98148 197.9
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.