CID 687302

5-(phenylmethylene)-2-thioxo-4-imidazolidinone

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 144.2
[M+Na]+ 227.02496 153.1
[M-H]- 203.02846 145.9
[M+NH4]+ 222.06956 161.7
[M+K]+ 242.99890 146.6
[M+H-H2O]+ 187.03300 137.8
[M+HCOO]- 249.03394 158.0
[M+CH3COO]- 263.04959 155.7
[M+Na-2H]- 225.01041 144.1
[M]+ 204.03519 139.6
[M]- 204.03629 139.6
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