CID 687302

5-benzylidene-2-thiohydantoin

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+
InChIKey
YXMBDTHHYFCMKP-SOFGYWHQSA-N
Compound name
(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

9
Patents

204.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 145.5
[M+Na]+ 227.02496 156.7
[M+NH4]+ 222.06956 152.9
[M+K]+ 242.99890 150.1
[M-H]- 203.02846 146.7
[M+Na-2H]- 225.01041 150.1
[M]+ 204.03519 147.5
[M]- 204.03629 147.5
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

patents stripe