CID 9278
Secergan
Structural Information
- Molecular Formula
- C18H21N2OS
- SMILES
- CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C
- InChI
- InChI=1S/C18H21N2OS/c1-13(20(2,3)4)18(21)19-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19/h5-13H,1-4H3/q+1
- InChIKey
- YARAVERAGXHBDQ-UHFFFAOYSA-N
- Compound name
- trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.14473 | 168.9 |
[M+Na]+ | 336.12667 | 175.2 |
[M-H]- | 312.13017 | 173.8 |
[M+NH4]+ | 331.17127 | 185.0 |
[M+K]+ | 352.10061 | 165.7 |
[M+H-H2O]+ | 296.13471 | 164.0 |
[M+HCOO]- | 358.13565 | 181.0 |
[M+CH3COO]- | 372.15130 | 205.4 |
[M+Na-2H]- | 334.11212 | 176.1 |
[M]+ | 313.13690 | 169.8 |
[M]- | 313.13800 | 169.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.