CID 2872314

5-methyl-3-phenyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CC1C(=O)N(C(=S)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)
InChIKey
XGPFPXALZVOKRI-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

206.05139 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 143.8
[M+Na]+ 229.040608 153.7
[M-H]- 205.044114 147.4
[M+NH4]+ 224.085213 162.3
[M+K]+ 245.014548 148.7
[M+H-H2O]+ 189.048650 137.4
[M+HCOO]- 251.049591 159.0
[M+CH3COO]- 265.065241 156.4
[M+Na-2H]- 227.026056 143.5
[M]+ 206.05084142 142.3
[M]- 206.05193858 142.3
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

patents stripe