CID 6391948

5-(biphenylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C16H12N2OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C16H12N2OS/c19-15-14(17-16(20)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,17,18,19,20)/b14-10+
InChIKey
UAZMIIFYCBZBAB-GXDHUFHOSA-N
Compound name
(5E)-5-[(4-phenylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.06705 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07433 164.5
[M+Na]+ 303.05627 173.1
[M-H]- 279.05977 169.4
[M+NH4]+ 298.10087 178.7
[M+K]+ 319.03021 164.6
[M+H-H2O]+ 263.06431 156.8
[M+HCOO]- 325.06525 178.0
[M+CH3COO]- 339.08090 174.9
[M+Na-2H]- 301.04172 163.3
[M]+ 280.06650 160.0
[M]- 280.06760 160.0
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.