Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methoxybenzamide
ID: Reference12454
Other Names:
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(4-methoxybenzoyl)amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298515
Formula: C23H22N8O5
1,4:3,6-Dianhydro-2,5-dideoxy-2-[(4-methoxybenzoyl)amino]-5-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-L-iditol 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 | 1955 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/14/2023 11:44:06 AM |
InChI | InChI=1S/C23H22N8O5/c1-33-16-6-2-14(3-7-16)22(32)26-18-10-34-21-19(11-35-20(18)21)31-23(27-28-29-31)36-17-8-4-15(5-9-17)30-13-24-12-25-30/h2-9,12-13,18-21H,10-11H2,1H3,(H,26,32)/t18-,19-,20+,21+/m0/s1 |
InChI Key | FHYJHULOMQDLCX-UWHLTILDSA-N |
Canonical SMILES | COC1=CC=C(C=C1)C(=O)NC2COC3C2OCC3N4C(=NN=N4)OC5=CC=C(C=C5)N6C=NC=N6 |
CAS | |
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Other Names |
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(4-methoxybenzoyl)amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-; NAT6-298515 |