CID 6435312

Brn 0824528

Structural Information

Molecular Formula
C16H10Cl2N2OS
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C16H10Cl2N2OS/c17-11-6-2-1-5-10(11)9-13-15(21)20(16(22)19-13)14-8-4-3-7-12(14)18/h1-9H,(H,19,22)/b13-9-
InChIKey
YLSXICPUQZNQFK-LCYFTJDESA-N
Compound name
(5Z)-3-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.98907 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.99635 178.8
[M+Na]+ 370.97829 194.6
[M+NH4]+ 366.02289 187.0
[M+K]+ 386.95223 184.9
[M-H]- 346.98179 183.2
[M+Na-2H]- 368.96374 185.9
[M]+ 347.98852 183.3
[M]- 347.98962 183.3
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.