CID 762159

(5r)-3,5-bisbenzyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=S)N2)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c20-16-15(11-13-7-3-1-4-8-13)18-17(21)19(16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)/t15-/m1/s1
InChIKey
KCPWXWBVHYMNNX-OAHLLOKOSA-N
Compound name
(5R)-3,5-dibenzyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 168.8
[M+Na]+ 319.08755 177.1
[M-H]- 295.09105 174.8
[M+NH4]+ 314.13215 183.1
[M+K]+ 335.06149 169.8
[M+H-H2O]+ 279.09559 160.5
[M+HCOO]- 341.09653 183.3
[M+CH3COO]- 355.11218 179.4
[M+Na-2H]- 317.07300 167.5
[M]+ 296.09778 167.2
[M]- 296.09888 167.2
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.