CID 5353853

Oxiconazole

Structural Information

Molecular Formula
C18H13Cl4N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
InChIKey
QRJJEGAJXVEBNE-HKOYGPOVSA-N
Compound name
(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

100
References

20958
Patents

426.98126 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.98854 195.3
[M+Na]+ 449.97048 204.6
[M-H]- 425.97398 199.6
[M+NH4]+ 445.01508 205.6
[M+K]+ 465.94442 197.1
[M+H-H2O]+ 409.97852 185.5
[M+HCOO]- 471.97946 198.0
[M+CH3COO]- 485.99511 203.2
[M+Na-2H]- 447.95593 193.5
[M]+ 426.98071 200.2
[M]- 426.98181 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe