CID 3074215
6,11-dihydro-6-methyl-11-(1-methylethoxy)dibenzo(c,f)(1,2)thiazepine 5,5-dioxide
Structural Information
- Molecular Formula
- C17H19NO3S
- SMILES
- CC(C)OC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C
- InChI
- InChI=1S/C17H19NO3S/c1-12(2)21-17-13-8-4-6-10-15(13)18(3)22(19,20)16-11-7-5-9-14(16)17/h4-12,17H,1-3H3
- InChIKey
- SJTHGFILBODOCA-UHFFFAOYSA-N
- Compound name
- 6-methyl-11-propan-2-yloxy-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.11583 | 167.7 |
[M+Na]+ | 340.09777 | 179.7 |
[M+NH4]+ | 335.14237 | 176.6 |
[M+K]+ | 356.07171 | 170.8 |
[M-H]- | 316.10127 | 169.9 |
[M+Na-2H]- | 338.08322 | 174.0 |
[M]+ | 317.10800 | 170.8 |
[M]- | 317.10910 | 170.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.