CID 875946

(5r)-3-phenyl-5-benzyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)/t14-/m1/s1
InChIKey
HIDCDSHFIITFOM-CQSZACIVSA-N
Compound name
(5R)-5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 164.6
[M+Na]+ 305.07189 173.3
[M-H]- 281.07539 170.8
[M+NH4]+ 300.11649 179.5
[M+K]+ 321.04583 166.2
[M+H-H2O]+ 265.07993 156.4
[M+HCOO]- 327.08087 179.4
[M+CH3COO]- 341.09652 175.6
[M+Na-2H]- 303.05734 163.7
[M]+ 282.08212 162.6
[M]- 282.08322 162.6
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.