CID 3009803
Ethyl 2-(2-hydroxyethoxymethyl)-1,1,5-trioxo-1,2,6-thiadiazine-4-carboxylate
Structural Information
- Molecular Formula
- C9H14N2O7S
- SMILES
- CCOC(=O)C1=CN(S(=O)(=O)NC1=O)COCCO
- InChI
- InChI=1S/C9H14N2O7S/c1-2-18-9(14)7-5-11(6-17-4-3-12)19(15,16)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13)
- InChIKey
- LEGOGEITZRWOHW-UHFFFAOYSA-N
- Compound name
- ethyl 2-(2-hydroxyethoxymethyl)-1,1,5-trioxo-1,2,6-thiadiazine-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.05948 | 157.0 |
[M+Na]+ | 317.04142 | 164.6 |
[M-H]- | 293.04492 | 155.2 |
[M+NH4]+ | 312.08602 | 170.6 |
[M+K]+ | 333.01536 | 162.4 |
[M+H-H2O]+ | 277.04946 | 151.2 |
[M+HCOO]- | 339.05040 | 168.9 |
[M+CH3COO]- | 353.06605 | 191.5 |
[M+Na-2H]- | 315.02687 | 158.8 |
[M]+ | 294.05165 | 161.7 |
[M]- | 294.05275 | 161.7 |
Literature stripe
Patent stripe
No patent data available for this compound.