CID 3054910

71821-17-5

Structural Information

Molecular Formula
C18H15Cl3N2OS
SMILES
C1=CC(=CC=C1SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2OS/c19-13-1-4-15(5-2-13)25-12-24-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21/h1-9,11,18H,10,12H2
InChIKey
FNWMECORJWYOIX-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.99707 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00435 188.3
[M+Na]+ 434.98629 197.9
[M-H]- 410.98979 194.0
[M+NH4]+ 430.03089 200.1
[M+K]+ 450.96023 190.2
[M+H-H2O]+ 394.99433 180.2
[M+HCOO]- 456.99527 190.0
[M+CH3COO]- 471.01092 197.4
[M+Na-2H]- 432.97174 185.7
[M]+ 411.99652 195.4
[M]- 411.99762 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.