CID 46782369

3,4-dichloro miconazole nitrate

Structural Information

Molecular Formula
C18H14Cl4N2O
SMILES
C1=CC(=C(C=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2O/c19-13-2-3-14(16(21)8-13)18(9-24-6-5-23-11-24)25-10-12-1-4-15(20)17(22)7-12/h1-8,11,18H,9-10H2
InChIKey
SZRYZAYGHYHAFH-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(3,4-dichlorophenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.98602 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99330 193.3
[M+Na]+ 436.97524 210.1
[M+NH4]+ 432.01984 201.2
[M+K]+ 452.94918 200.9
[M-H]- 412.97874 197.4
[M+Na-2H]- 434.96069 201.6
[M]+ 413.98547 198.1
[M]- 413.98657 198.1
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.