CID 6475234

5-(3-phenylethoxybenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
C1=CC=C(C=C1)CCOC2=CC=CC(=C2)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C18H16N2O2S/c21-17-16(19-18(23)20-17)12-14-7-4-8-15(11-14)22-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,20,21,23)/b16-12+
InChIKey
AAKNVPSWGYCTJW-FOWTUZBSSA-N
Compound name
(5E)-5-[[3-(2-phenylethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.09326 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 176.1
[M+Na]+ 347.08248 183.5
[M-H]- 323.08598 180.6
[M+NH4]+ 342.12708 188.4
[M+K]+ 363.05642 175.2
[M+H-H2O]+ 307.09052 167.9
[M+HCOO]- 369.09146 189.1
[M+CH3COO]- 383.10711 185.4
[M+Na-2H]- 345.06793 174.1
[M]+ 324.09271 173.6
[M]- 324.09381 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.