CID 129239869
1879929-70-0
Structural Information
- Molecular Formula
- C25H26F4N4O6S2
- SMILES
- CC1=CC(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C4OCC5=C(C=CC(=C5CO4)F)OS(=O)(=O)C)C(F)(F)F
- InChI
- InChI=1S/C25H26F4N4O6S2/c1-14-9-21(25(27,28)29)31-33(14)10-22(34)32-7-5-15(6-8-32)23-30-19(13-40-23)24-37-11-16-17(12-38-24)20(4-3-18(16)26)39-41(2,35)36/h3-4,9,13,15,24H,5-8,10-12H2,1-2H3
- InChIKey
- UYWFLHVJGRXRHQ-UHFFFAOYSA-N
- Compound name
- [6-fluoro-3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,5-dihydro-2,4-benzodioxepin-9-yl] methanesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 619.13028 | 233.3 |
[M+Na]+ | 641.11222 | 239.8 |
[M-H]- | 617.11572 | 239.7 |
[M+NH4]+ | 636.15682 | 232.9 |
[M+K]+ | 657.08616 | 241.2 |
[M+H-H2O]+ | 601.12026 | 223.1 |
[M+HCOO]- | 663.12120 | 230.9 |
[M+CH3COO]- | 677.13685 | 237.5 |
[M+Na-2H]- | 639.09767 | 227.5 |
[M]+ | 618.12245 | 232.9 |
[M]- | 618.12355 | 232.9 |
Literature stripe
No literature data available for this compound.