CID 1556555

304895-61-2

Structural Information

Molecular Formula
C19H13Cl3N2OS
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H13Cl3N2OS/c20-14-6-7-17(22)13(9-14)10-15-11-23-19(26-15)24-18(25)8-5-12-3-1-2-4-16(12)21/h1-9,11H,10H2,(H,23,24,25)/b8-5+
InChIKey
ASSKHRDAVFGWCL-VMPITWQZSA-N
Compound name
(E)-3-(2-chlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.9814 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.98868 198.4
[M+Na]+ 444.97062 214.2
[M+NH4]+ 440.01522 206.7
[M+K]+ 460.94456 203.1
[M-H]- 420.97412 203.9
[M+Na-2H]- 442.95607 206.5
[M]+ 421.98085 203.6
[M]- 421.98195 203.6
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.