![N-[benzyloxy-[[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]amino]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine](/api/spectrum/Ks5B3ZMcwSS/structure.png?h=300&w=458 "N-[benzyloxy-[[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]amino]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine")
| SpectraBase Compound ID | IYx4G1ac8c2 |
|---|---|
| InChI | InChI=1S/C30H37Cl2N4O2P/c1-2-24-21-35-17-13-25(24)20-29(35)30(27-12-16-33-28-11-7-6-10-26(27)28)34-39(37,36(18-14-31)19-15-32)38-22-23-8-4-3-5-9-23/h2-12,16,24-25,29-30H,1,13-15,17-22H2,(H,34,37)/t24?,25-,29?,30+,39?/m1/s1 |
| InChIKey | NWSITUTZIVWUFU-FDJWGERSSA-N |
| Mol Weight | 587.5 g/mol |
| Molecular Formula | C30H37Cl2N4O2P |
| Exact Mass | 586.203119 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ks5B3ZMcwSS |
|---|---|
| Name | N-[benzyloxy-[[(S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methyl]amino]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H37Cl2N4O2P |
| InChI | InChI=1S/C30H37Cl2N4O2P/c1-2-24-21-35-17-13-25(24)20-29(35)30(27-12-16-33-28-11-7-6-10-26(27)28)34-39(37,36(18-14-31)19-15-32)38-22-23-8-4-3-5-9-23/h2-12,16,24-25,29-30H,1,13-15,17-22H2,(H,34,37)/t24?,25-,29?,30+,39?/m1/s1 |
| InChIKey | NWSITUTZIVWUFU-FDJWGERSSA-N |
| Ionization Type | EI |
| Molecular Weight | 587.532 g/mol |
| Reported Formula | C30H37Cl2N4O2P |
| SMILES | N([C@@](c1ccnc2ccccc12)(C1N2CC[C@](C1)(C(C2)C=C)[H])[H])P(OCc1ccccc1)(N(CCCl)CCCl)=O |
| SPLASH | splash10-000i-1930000000-78be305fe208600a11a4 |
| Source of Spectrum | CN102309984A |
| Wiley ID | 1844651 |