CID 3002854

(5r)-3-phenyl-5-(4-phenylphenyl)-2-thioxo-imidazolidin-4-one

Structural Information

Molecular Formula
C21H16N2OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2OS/c24-20-19(22-21(25)23(20)18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14,19H,(H,22,25)/t19-/m1/s1
InChIKey
GGFRVSRZEYXSCV-LJQANCHMSA-N
Compound name
(5R)-3-phenyl-5-(4-phenylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09833 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10561 181.6
[M+Na]+ 367.08755 190.4
[M-H]- 343.09105 190.9
[M+NH4]+ 362.13215 193.6
[M+K]+ 383.06149 181.6
[M+H-H2O]+ 327.09559 172.2
[M+HCOO]- 389.09653 196.0
[M+CH3COO]- 403.11218 191.6
[M+Na-2H]- 365.07300 179.9
[M]+ 344.09778 179.1
[M]- 344.09888 179.1
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.