CID 6446511

Brn 0923199

Structural Information

Molecular Formula
C18H16N2OS
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3C
InChI
InChI=1S/C18H16N2OS/c1-12-7-9-14(10-8-12)11-15-17(21)20(18(22)19-15)16-6-4-3-5-13(16)2/h3-11H,1-2H3,(H,19,22)/b15-11-
InChIKey
YLWVRFHZQYSBDD-PTNGSMBKSA-N
Compound name
(5Z)-3-(2-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09833 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 174.3
[M+Na]+ 331.08755 188.5
[M+NH4]+ 326.13215 182.0
[M+K]+ 347.06149 180.0
[M-H]- 307.09105 178.9
[M+Na-2H]- 329.07300 181.2
[M]+ 308.09778 178.0
[M]- 308.09888 178.0
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.