CID 6450570

3-o-chlorobenzoyl-5-(2'-chlorobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C17H10Cl2N2O2S
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C17H10Cl2N2O2S/c18-12-7-3-1-5-10(12)9-14-16(23)21(17(24)20-14)15(22)11-6-2-4-8-13(11)19/h1-9H,(H,20,24)/b14-9-
InChIKey
FSGFOIQTDNVNHZ-ZROIWOOFSA-N
Compound name
(5Z)-3-(2-chlorobenzoyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.99128 184.1
[M+Na]+ 398.97322 194.7
[M-H]- 374.97672 190.2
[M+NH4]+ 394.01782 196.7
[M+K]+ 414.94716 185.4
[M+H-H2O]+ 358.98126 177.3
[M+HCOO]- 420.98220 188.2
[M+CH3COO]- 434.99785 193.7
[M+Na-2H]- 396.95867 179.3
[M]+ 375.98345 185.7
[M]- 375.98455 185.7
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.