4-{[(6S)-6-(Methoxycarbonyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]methyl}benzoic acid
11513
Reference
4-{[(6S)-6-(Methoxycarbonyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(6S)-6-Methoxycarbonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
ID: Reference11513
Other Names: NAT22-377483
Formula: C16H17N3O4
Spectral Data
4-{[(6S)-6-(Methoxycarbonyl)-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 | 400 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2022 11:29:14 AM |
Identificators
| InChI | InChI=1S/C16H17N3O4/c1-23-16(22)14-6-12-13(18-9-17-12)8-19(14)7-10-2-4-11(5-3-10)15(20)21/h2-5,9,14H,6-8H2,1H3,(H,17,18)(H,20,21)/t14-/m0/s1 |
| InChI Key | IWGWJJAKGLJITH-AWEZNQCLSA-N |
| Canonical SMILES | COC(=O)C1CC2=C(CN1CC3=CC=C(C=C3)C(=O)O)NC=N2 |
| CAS | |
| Splash | |
| Other Names | NAT22-377483 |