CID 6450572

3-o-methylbenzoyl-5-(3'-methylbenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C19H16N2O2S
SMILES
CC1=CC(=CC=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3C
InChI
InChI=1S/C19H16N2O2S/c1-12-6-5-8-14(10-12)11-16-18(23)21(19(24)20-16)17(22)15-9-4-3-7-13(15)2/h3-11H,1-2H3,(H,20,24)/b16-11-
InChIKey
VTSSOLJQUXLNMF-WJDWOHSUSA-N
Compound name
(5Z)-3-(2-methylbenzoyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09326 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10054 180.9
[M+Na]+ 359.08248 194.1
[M+NH4]+ 354.12708 187.5
[M+K]+ 375.05642 186.7
[M-H]- 335.08598 184.5
[M+Na-2H]- 357.06793 186.8
[M]+ 336.09271 184.1
[M]- 336.09381 184.1
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.