4-({(6S)-6-[3-(4-Pyridinyl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid
12200
Reference
4-({(6S)-6-[3-(4-Pyridinyl)-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-Pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
ID: Reference12200
Other Names: NAT22-364958
Formula: C21H18N6O3
Spectral Data
4-({(6S)-6-[3-(4-Pyridinyl)-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 | 742 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2023 4:24:41 PM |
Identificators
| InChI | InChI=1S/C21H18N6O3/c28-21(29)15-3-1-13(2-4-15)10-27-11-17-16(23-12-24-17)9-18(27)20-25-19(26-30-20)14-5-7-22-8-6-14/h1-8,12,18H,9-11H2,(H,23,24)(H,28,29)/t18-/m0/s1 |
| InChI Key | VLJRJAAJQXCMNX-SFHVURJKSA-N |
| Canonical SMILES | C1C(N(CC2=C1N=CN2)CC3=CC=C(C=C3)C(=O)O)C4=NC(=NO4)C5=CC=NC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT22-364958 |