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]+ 382.957376 184.1
[M+Na]+ 404.939318 195.8
[M-H]- 380.942824 189.1
[M+NH4]+ 399.983923 196.9
[M+K]+ 420.913258 186.0
[M+H-H2O]+ 364.947360 177.7
[M+HCOO]- 426.948301 183.6
[M+CH3COO]- 440.963951 193.4
[M+Na-2H]- 402.924766 178.9
[M]+ 381.94955142 185.6
[M]- 381.95064858 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.