CID 6435201

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

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]+ 325.100536 176.4
[M+Na]+ 347.082478 186.0
[M-H]- 323.085984 183.1
[M+NH4]+ 342.127083 190.0
[M+K]+ 363.056418 178.5
[M+H-H2O]+ 307.090520 168.3
[M+HCOO]- 369.091461 190.8
[M+CH3COO]- 383.107111 187.1
[M+Na-2H]- 345.067926 173.3
[M]+ 324.09271142 176.6
[M]- 324.09380858 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.