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
7
Annotation Hits

142
References

14930
Patents

435.99707 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.004346 199.2
[M+Na]+ 458.986288 211.3
[M-H]- 434.989794 206.8
[M+NH4]+ 454.030893 213.1
[M+K]+ 474.960228 203.4
[M+H-H2O]+ 418.994330 191.8
[M+HCOO]- 480.995271 202.2
[M+CH3COO]- 495.010921 208.9
[M+Na-2H]- 456.971736 195.4
[M]+ 435.99652142 208.8
[M]- 435.99761858 208.8
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