CID 3054418

1-(2-(((4-chlorophenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethenyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C18H13Cl3N2OS
SMILES
C1=CC(=CC=C1SCO/C(=C\N2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H13Cl3N2OS/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/h1-11H,12H2/b18-10-
InChIKey
IZKVSASIQOLXFE-ZDLGFXPLSA-N
Compound name
1-[(Z)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.9814 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98868 188.8
[M+Na]+ 432.97062 198.7
[M-H]- 408.97412 194.5
[M+NH4]+ 428.01522 200.6
[M+K]+ 448.94456 190.5
[M+H-H2O]+ 392.97866 180.7
[M+HCOO]- 454.97960 190.6
[M+CH3COO]- 468.99525 197.9
[M+Na-2H]- 430.95607 186.0
[M]+ 409.98085 195.1
[M]- 409.98195 195.1
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.