CID 2872023

5-(2-(methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C12H14N2OS2
SMILES
CSCCC1C(=O)N(C(=S)N1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2OS2/c1-17-8-7-10-11(15)14(12(16)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)
InChIKey
KALSXWPXUWRLOH-UHFFFAOYSA-N
Compound name
5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

266.05475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06203 157.3
[M+Na]+ 289.04397 166.5
[M-H]- 265.04747 160.1
[M+NH4]+ 284.08857 173.6
[M+K]+ 305.01791 159.8
[M+H-H2O]+ 249.05201 151.0
[M+HCOO]- 311.05295 166.4
[M+CH3COO]- 325.06860 191.6
[M+Na-2H]- 287.02942 154.1
[M]+ 266.05420 157.5
[M]- 266.05530 157.5
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