CID 51755

Fenticonazole

Structural Information

Molecular Formula
C24H20Cl2N2OS
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2
InChIKey
ZCJYUTQZBAIHBS-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

89
References

12755
Patents

454.06735 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.07463 204.6
[M+Na]+ 477.05657 213.3
[M-H]- 453.06007 214.0
[M+NH4]+ 472.10117 214.0
[M+K]+ 493.03051 204.3
[M+H-H2O]+ 437.06461 194.4
[M+HCOO]- 499.06555 211.1
[M+CH3COO]- 513.08120 213.2
[M+Na-2H]- 475.04202 202.2
[M]+ 454.06680 211.4
[M]- 454.06790 211.4
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