4-{[(6S)-6-{[4-(Trifluoromethyl)benzyl]carbamoyl}-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]methyl}benzoic acid
12172
Reference
4-{[(6S)-6-{[4-(Trifluoromethyl)benzyl]carbamoyl}-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(6S)-6-[[4-(Trifluoromethyl)phenyl]methylcarbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
ID: Reference12172
Other Names: NAT22-372579
Formula: C23H21F3N4O3
Spectral Data
4-{[(6S)-6-{[4-(Trifluoromethyl)benzyl]carbamoyl}-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 | 1967 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2023 12:26:05 PM |
Identificators
| InChI | InChI=1S/C23H21F3N4O3/c24-23(25,26)17-7-3-14(4-8-17)10-27-21(31)20-9-18-19(29-13-28-18)12-30(20)11-15-1-5-16(6-2-15)22(32)33/h1-8,13,20H,9-12H2,(H,27,31)(H,28,29)(H,32,33)/t20-/m0/s1 |
| InChI Key | LUOMQTKPAQCDMD-FQEVSTJZSA-N |
| Canonical SMILES | C1C(N(CC2=C1N=CN2)CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT22-372579 |