CID 506388
1-(4,7-difluoro-1h-indol-3-yl)-2-[4-[5-(trifluoromethyl)furan-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
Structural Information
- Molecular Formula
- C20H14F5N3O4
- SMILES
- C1CN(CCN1C(=O)C2=CC=C(O2)C(F)(F)F)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
- InChI
- InChI=1S/C20H14F5N3O4/c21-11-1-2-12(22)16-15(11)10(9-26-16)17(29)19(31)28-7-5-27(6-8-28)18(30)13-3-4-14(32-13)20(23,24)25/h1-4,9,26H,5-8H2
- InChIKey
- SLWHPDYNXSAHAE-UHFFFAOYSA-N
- Compound name
- 1-(4,7-difluoro-1H-indol-3-yl)-2-[4-[5-(trifluoromethyl)furan-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 456.09773 | 199.0 |
[M+Na]+ | 478.07967 | 207.4 |
[M-H]- | 454.08317 | 200.1 |
[M+NH4]+ | 473.12427 | 205.8 |
[M+K]+ | 494.05361 | 202.3 |
[M+H-H2O]+ | 438.08771 | 186.9 |
[M+HCOO]- | 500.08865 | 206.1 |
[M+CH3COO]- | 514.10430 | 226.7 |
[M+Na-2H]- | 476.06512 | 193.4 |
[M]+ | 455.08990 | 193.5 |
[M]- | 455.09100 | 193.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.