4-({(6S)-6-[Benzyl(methyl)carbamoyl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}methyl)benzoic acid

enlarge

Systematic / IUPAC Name: 4-[[(6S)-6-[Benzyl(methyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid

ID: Reference10797

Other Names: Benzoic acid, 4-[[(6S)-1,4,6,7-tetrahydro-6-[[methyl(phenylmethyl)amino]carbonyl]-5H-imidazo[4,5-c]pyridin-5-yl]methyl]-;
NAT22-371619

Formula: C23H24N4O3

Spectral Data

4-({(6S)-6-[Benzyl(methyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1485
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/27/2021 7:31:07 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H24N4O3/c1-26(12-16-5-3-2-4-6-16)22(28)21-11-19-20(25-15-24-19)14-27(21)13-17-7-9-18(10-8-17)23(29)30/h2-10,15,21H,11-14H2,1H3,(H,24,25)(H,29,30)/t21-/m0/s1
InChI Key GXOZWGIQLWCRHD-NRFANRHFSA-N
Canonical SMILES CN(CC1=CC=CC=C1)C(=O)C2CC3=C(CN2CC4=CC=C(C=C4)C(=O)O)NC=N3
CAS
Splash
Other Names Benzoic acid, 4-[[(6S)-1,4,6,7-tetrahydro-6-[[methyl(phenylmethyl)amino]carbonyl]-5H-imidazo[4,5-c]pyridin-5-yl]methyl]-;
NAT22-371619

In Other Databases

ChemSpider 22936903
PubChem 38344451