CID 3072223
141283-65-0
Structural Information
- Molecular Formula
- C12H15F3N4O4S2
- SMILES
- CCOC(=O)NC(=S)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)CC
- InChI
- InChI=1S/C12H15F3N4O4S2/c1-3-23-11(20)18-10(24)17-8-5-7(12(13,14)15)6-16-9(8)19-25(21,22)4-2/h5-6H,3-4H2,1-2H3,(H,16,19)(H2,17,18,20,24)
- InChIKey
- FHGAUGDCTIUYAW-UHFFFAOYSA-N
- Compound name
- ethyl N-[[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.05596 | 182.0 |
[M+Na]+ | 423.03790 | 187.1 |
[M-H]- | 399.04140 | 179.2 |
[M+NH4]+ | 418.08250 | 190.9 |
[M+K]+ | 439.01184 | 181.5 |
[M+H-H2O]+ | 383.04594 | 171.4 |
[M+HCOO]- | 445.04688 | 189.1 |
[M+CH3COO]- | 459.06253 | 220.7 |
[M+Na-2H]- | 421.02335 | 183.5 |
[M]+ | 400.04813 | 181.0 |
[M]- | 400.04923 | 181.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.