CID 6436097

Aliconazole

Structural Information

Molecular Formula
C18H13Cl3N2
SMILES
C1=CC(=CC=C1/C(=C/C2=C(C=C(C=C2)Cl)Cl)/CN3C=CN=C3)Cl
InChI
InChI=1S/C18H13Cl3N2/c19-16-4-1-13(2-5-16)15(11-23-8-7-22-12-23)9-14-3-6-17(20)10-18(14)21/h1-10,12H,11H2/b15-9+
InChIKey
WNGFKUOERJDDIY-OQLLNIDSSA-N
Compound name
1-[(Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

362.01443 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.021706 181.8
[M+Na]+ 385.003648 191.5
[M-H]- 361.007154 186.4
[M+NH4]+ 380.048253 194.4
[M+K]+ 400.977588 182.4
[M+H-H2O]+ 345.011690 172.3
[M+HCOO]- 407.012631 187.6
[M+CH3COO]- 421.028281 191.1
[M+Na-2H]- 382.989096 181.1
[M]+ 362.01388142 184.6
[M]- 362.01497858 184.6
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