4-({(6S)-6-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid
12168
Reference
4-({(6S)-6-[3-(3-Methylphenyl)-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-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
ID: Reference12168
Other Names: NAT22-364903
Formula: C23H21N5O3
Spectral Data
4-({(6S)-6-[3-(3-Methylphenyl)-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 | 895 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2023 9:54:16 AM |
Identificators
| InChI | InChI=1S/C23H21N5O3/c1-14-3-2-4-17(9-14)21-26-22(31-27-21)20-10-18-19(25-13-24-18)12-28(20)11-15-5-7-16(8-6-15)23(29)30/h2-9,13,20H,10-12H2,1H3,(H,24,25)(H,29,30)/t20-/m0/s1 |
| InChI Key | FCPXTAQFOBOBFJ-FQEVSTJZSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)C2=NOC(=N2)C3CC4=C(CN3CC5=CC=C(C=C5)C(=O)O)NC=N4 |
| CAS | |
| Splash | |
| Other Names | NAT22-364903 |