CID 65863

Sertaconazole

Structural Information

Molecular Formula
C20H15Cl3N2OS
SMILES
C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
InChIKey
JLGKQTAYUIMGRK-UHFFFAOYSA-N
Compound name
1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

142
References

14102
Patents

435.99707 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.00435 199.5
[M+Na]+ 458.98629 216.9
[M+NH4]+ 454.03089 208.8
[M+K]+ 474.96023 207.1
[M-H]- 434.98979 205.1
[M+Na-2H]- 456.97174 207.8
[M]+ 435.99652 205.1
[M]- 435.99762 205.1
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