4-{[(2S)-2-{3-[6-(4-Methyl-1-piperazinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
11494
Reference
4-{[(2S)-2-{3-[6-(4-Methyl-1-piperazinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-[6-(4-Methylpiperazin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference11494
Other Names: NAT18-432286
Formula: C24H28N6O3
Spectral Data
4-{[(2S)-2-{3-[6-(4-Methyl-1-piperazinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]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 | 1490 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/23/2022 8:48:45 AM |
Identificators
| InChI | InChI=1S/C24H28N6O3/c1-28-11-13-29(14-12-28)21-9-8-19(15-25-21)22-26-23(33-27-22)20-3-2-10-30(20)16-17-4-6-18(7-5-17)24(31)32/h4-9,15,20H,2-3,10-14,16H2,1H3,(H,31,32)/t20-/m0/s1 |
| InChI Key | ZBNFCQDXLVOEHI-FQEVSTJZSA-N |
| Canonical SMILES | CN1CCN(CC1)C2=NC=C(C=C2)C3=NOC(=N3)C4CCCN4CC5=CC=C(C=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-432286 |