CID 86580491
Ns00117900
Structural Information
- Molecular Formula
- C19H22N2O3
- SMILES
- C1[C@@H]2CC(C[C@H]3N2CC(C1C3)O)OC(=O)C4=CNC5=CC=CC=C54
- InChI
- InChI=1S/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2/t11?,12-,13+,14?,18?
- InChIKey
- MLWGAEVSWJXOQJ-FVLPDPDASA-N
- Compound name
- [(3S,7R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.17034 | 167.8 |
[M+Na]+ | 349.15228 | 170.8 |
[M-H]- | 325.15578 | 165.3 |
[M+NH4]+ | 344.19688 | 184.5 |
[M+K]+ | 365.12622 | 165.4 |
[M+H-H2O]+ | 309.16032 | 159.3 |
[M+HCOO]- | 371.16126 | 172.0 |
[M+CH3COO]- | 385.17691 | 174.7 |
[M+Na-2H]- | 347.13773 | 173.1 |
[M]+ | 326.16251 | 166.4 |
[M]- | 326.16361 | 166.4 |
Literature stripe
Patent stripe
No patent data available for this compound.