CID 135434945
Schembl6444111
Structural Information
- Molecular Formula
- C24H20FN5O5
- SMILES
- C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C4=NOC(=O)N4)C(=O)C5=CC=CC=C5
- InChI
- InChI=1S/C24H20FN5O5/c1-13-12-29(22(32)14-5-3-2-4-6-14)9-10-30(13)23(33)20(31)16-11-26-19-15(7-8-17(25)18(16)19)21-27-24(34)35-28-21/h2-8,11,13,26H,9-10,12H2,1H3,(H,27,28,34)/t13-/m1/s1
- InChIKey
- QZRRWZIZDGRKJJ-CYBMUJFWSA-N
- Compound name
- 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-fluoro-7-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 478.15212 | 209.1 |
[M+Na]+ | 500.13406 | 216.2 |
[M-H]- | 476.13756 | 214.9 |
[M+NH4]+ | 495.17866 | 210.9 |
[M+K]+ | 516.10800 | 210.4 |
[M+H-H2O]+ | 460.14210 | 197.6 |
[M+HCOO]- | 522.14304 | 217.8 |
[M+CH3COO]- | 536.15869 | 215.3 |
[M+Na-2H]- | 498.11951 | 203.1 |
[M]+ | 477.14429 | 207.4 |
[M]- | 477.14539 | 207.4 |
Literature stripe
No literature data available for this compound.