CID 6435201

3-(3-methoxyphenyl)-5-((4-methylphenyl)methylene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C18H16N2O2S/c1-12-6-8-13(9-7-12)10-16-17(21)20(18(23)19-16)14-4-3-5-15(11-14)22-2/h3-11H,1-2H3,(H,19,23)/b16-10-
InChIKey
ADIANNGGECYURY-YBEGLDIGSA-N
Compound name
(5Z)-3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09326 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 176.4
[M+Na]+ 347.08248 186.0
[M-H]- 323.08598 183.1
[M+NH4]+ 342.12708 190.0
[M+K]+ 363.05642 178.5
[M+H-H2O]+ 307.09052 168.3
[M+HCOO]- 369.09146 190.8
[M+CH3COO]- 383.10711 187.1
[M+Na-2H]- 345.06793 173.3
[M]+ 324.09271 176.6
[M]- 324.09381 176.6
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.