Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[5-[4-(Morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
ID: Reference12362
Other Names:
D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(4-acetylphenyl)carbamate];
NAT6-296454
Formula: C27H30N6O6
5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl}-D-glucitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 2085 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/10/2023 8:35:27 AM |
InChI | InChI=1S/C27H30N6O6/c1-17(34)19-6-8-21(9-7-19)28-27(35)39-23-16-38-24-22(15-37-25(23)24)33-26(29-30-31-33)20-4-2-18(3-5-20)14-32-10-12-36-13-11-32/h2-9,22-25H,10-16H2,1H3,(H,28,35)/t22-,23+,24+,25+/m0/s1 |
InChI Key | YQWHEGDPSKPTFA-ZYQDXHPFSA-N |
Canonical SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3N4C(=NN=N4)C5=CC=C(C=C5)CN6CCOCC6 |
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Other Names |
D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(4-acetylphenyl)carbamate]; NAT6-296454 |