4-({(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid
12084
Reference
4-({(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid Structure
Systematic / IUPAC Name: 4-[[(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
ID: Reference12084
Other Names: NAT22-381410
Formula: C23H19N5O5
Spectral Data
4-({(6S)-6-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 900 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/21/2022 7:59:57 AM |
Identificators
| InChI | InChI=1S/C23H19N5O5/c29-23(30)14-3-1-13(2-4-14)9-28-10-17-16(24-11-25-17)8-18(28)22-26-21(27-33-22)15-5-6-19-20(7-15)32-12-31-19/h1-7,11,18H,8-10,12H2,(H,24,25)(H,29,30)/t18-/m0/s1 |
| InChI Key | DSCFQMNAJVFFRQ-SFHVURJKSA-N |
| Canonical SMILES | C1C(N(CC2=C1N=CN2)CC3=CC=C(C=C3)C(=O)O)C4=NC(=NO4)C5=CC6=C(C=C5)OCO6 |
| CAS | |
| Splash | |
| Other Names | NAT22-381410 |