CID 1114601

(5r)-3,5-diphenyl-2-thioxo-imidazolidin-4-one

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)[C@@H]2C(=O)N(C(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2OS/c18-14-13(11-7-3-1-4-8-11)16-15(19)17(14)12-9-5-2-6-10-12/h1-10,13H,(H,16,19)/t13-/m1/s1
InChIKey
NOOPLYYILFCGRQ-CYBMUJFWSA-N
Compound name
(5R)-3,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.074326 160.3
[M+Na]+ 291.056268 169.5
[M-H]- 267.059774 166.7
[M+NH4]+ 286.100873 175.8
[M+K]+ 307.030208 162.6
[M+H-H2O]+ 251.064310 152.4
[M+HCOO]- 313.065251 175.4
[M+CH3COO]- 327.080901 171.8
[M+Na-2H]- 289.041716 159.9
[M]+ 268.06650142 158.0
[M]- 268.06759858 158.0
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.