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
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 |