CID 131704309
Db08456
Structural Information
- Molecular Formula
- C16H23NO3S2
- SMILES
- CC1(C(=C(C(N1O)(C)C)C2=CC=CC=C2)CSS(=O)(=O)C)C
- InChI
- InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3
- InChIKey
- ZXJJZPNUOZSZBU-UHFFFAOYSA-N
- Compound name
- 1-hydroxy-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-phenylpyrrole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.11922 | 172.7 |
[M+Na]+ | 364.10116 | 182.6 |
[M-H]- | 340.10466 | 177.0 |
[M+NH4]+ | 359.14576 | 191.3 |
[M+K]+ | 380.07510 | 177.4 |
[M+H-H2O]+ | 324.10920 | 168.7 |
[M+HCOO]- | 386.11014 | 181.8 |
[M+CH3COO]- | 400.12579 | 205.2 |
[M+Na-2H]- | 362.08661 | 173.9 |
[M]+ | 341.11139 | 178.8 |
[M]- | 341.11249 | 178.8 |
Literature stripe
Patent stripe
No patent data available for this compound.