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 184.1
[M+Na]+ 404.93932 195.8
[M-H]- 380.94282 189.1
[M+NH4]+ 399.98392 196.9
[M+K]+ 420.91326 186.0
[M+H-H2O]+ 364.94736 177.7
[M+HCOO]- 426.94830 183.6
[M+CH3COO]- 440.96395 193.4
[M+Na-2H]- 402.92477 178.9
[M]+ 381.94955 185.6
[M]- 381.95065 185.6
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.