CID 3001907

5-[(z)-(4-chloro-phenyl-methyl)methylidene]-2-thiohydantoin

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C/C(=C\1/C(=O)NC(=S)N1)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2OS/c1-6(7-2-4-8(12)5-3-7)9-10(15)14-11(16)13-9/h2-5H,1H3,(H2,13,14,15,16)/b9-6+
InChIKey
JMGLFFALJSYHCI-RMKNXTFCSA-N
Compound name
(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.0124 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01968 154.7
[M+Na]+ 275.00162 164.1
[M-H]- 251.00512 156.7
[M+NH4]+ 270.04622 171.3
[M+K]+ 290.97556 156.4
[M+H-H2O]+ 235.00966 149.1
[M+HCOO]- 297.01060 162.5
[M+CH3COO]- 311.02625 165.6
[M+Na-2H]- 272.98707 152.0
[M]+ 252.01185 152.1
[M]- 252.01295 152.1
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.