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

11
Patents

204.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 144.2
[M+Na]+ 227.024958 153.1
[M-H]- 203.028464 145.9
[M+NH4]+ 222.069563 161.7
[M+K]+ 242.998898 146.6
[M+H-H2O]+ 187.033000 137.8
[M+HCOO]- 249.033941 158.0
[M+CH3COO]- 263.049591 155.7
[M+Na-2H]- 225.010406 144.1
[M]+ 204.03519142 139.6
[M]- 204.03628858 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