CID 740000

5-(2,5-dimethylobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CC1=CC(=C(C=C1)C)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C12H12N2OS/c1-7-3-4-8(2)9(5-7)6-10-11(15)14-12(16)13-10/h3-6H,1-2H3,(H2,13,14,15,16)/b10-6+
InChIKey
YQHKAEVDOIEIIM-UXBLZVDNSA-N
Compound name
(5E)-5-[(2,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.06703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 152.4
[M+Na]+ 255.05625 162.2
[M-H]- 231.05975 154.6
[M+NH4]+ 250.10085 169.4
[M+K]+ 271.03019 155.2
[M+H-H2O]+ 215.06429 146.3
[M+HCOO]- 277.06523 165.6
[M+CH3COO]- 291.08088 184.2
[M+Na-2H]- 253.04170 150.0
[M]+ 232.06648 149.4
[M]- 232.06758 149.4
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.