CID 6450569

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

Structural Information

Molecular Formula
C17H10Cl2N2O2S
SMILES
C1=CC=C(C(=C1)C(=O)N2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/NC2=S)Cl
InChI
InChI=1S/C17H10Cl2N2O2S/c18-11-5-3-4-10(8-11)9-14-16(23)21(17(24)20-14)15(22)12-6-1-2-7-13(12)19/h1-9H,(H,20,24)/b14-9-
InChIKey
FRNPRQOXSXODKM-ZROIWOOFSA-N
Compound name
(5Z)-3-(2-chlorobenzoyl)-5-[(3-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 184.8
[M+Na]+ 398.97322 199.7
[M+NH4]+ 394.01782 192.0
[M+K]+ 414.94716 191.0
[M-H]- 374.97672 188.3
[M+Na-2H]- 396.95867 191.0
[M]+ 375.98345 188.8
[M]- 375.98455 188.8
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.