CID 5677992

5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C16H9Cl3N2OS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C16H9Cl3N2OS/c17-10-6-4-9(5-7-10)8-12-15(22)21(16(23)20-12)13-3-1-2-11(18)14(13)19/h1-8H,(H,20,23)/b12-8-
InChIKey
DVPWXWZTTGQGTF-WQLSENKSSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.9501 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.95738 186.8
[M+Na]+ 404.93932 202.9
[M+NH4]+ 399.98392 194.8
[M+K]+ 420.91326 192.7
[M-H]- 380.94282 190.7
[M+Na-2H]- 402.92477 193.1
[M]+ 381.94955 191.5
[M]- 381.95065 191.5
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.