CID 3004433

Nsc653328

Structural Information

Molecular Formula
C18H16N2OS
SMILES
C=CCN1C(=O)C(NC1=S)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2OS/c1-2-13-20-16(21)18(19-17(20)22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2,(H,19,22)
InChIKey
CJRJHMDHAHWFSZ-UHFFFAOYSA-N
Compound name
5,5-diphenyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.09833 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 171.9
[M+Na]+ 331.08755 180.9
[M-H]- 307.09105 178.0
[M+NH4]+ 326.13215 187.6
[M+K]+ 347.06149 173.1
[M+H-H2O]+ 291.09559 163.9
[M+HCOO]- 353.09653 186.2
[M+CH3COO]- 367.11218 182.5
[M+Na-2H]- 329.07300 171.4
[M]+ 308.09778 170.3
[M]- 308.09888 170.3
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.