CID 212774
24868-63-1
Structural Information
- Molecular Formula
- C23H23F3N2O3S
- SMILES
- C1CN(CCC12N(C(=O)CS2)C3=CC=CC(=C3)C(F)(F)F)CC4COC5=CC=CC=C5O4
- InChI
- InChI=1S/C23H23F3N2O3S/c24-23(25,26)16-4-3-5-17(12-16)28-21(29)15-32-22(28)8-10-27(11-9-22)13-18-14-30-19-6-1-2-7-20(19)31-18/h1-7,12,18H,8-11,13-15H2
- InChIKey
- UWRVTSHPCAMGDM-UHFFFAOYSA-N
- Compound name
- 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 465.14543 | 207.2 |
[M+Na]+ | 487.12737 | 213.6 |
[M-H]- | 463.13087 | 213.1 |
[M+NH4]+ | 482.17197 | 215.2 |
[M+K]+ | 503.10131 | 209.4 |
[M+H-H2O]+ | 447.13541 | 195.2 |
[M+HCOO]- | 509.13635 | 209.1 |
[M+CH3COO]- | 523.15200 | 213.5 |
[M+Na-2H]- | 485.11282 | 205.4 |
[M]+ | 464.13760 | 201.4 |
[M]- | 464.13870 | 201.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.