1-{4-[(3S)-3-(5-Chloro-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl}ethanone

enlarge

Systematic / IUPAC Name: 1-[4-[(3S)-3-(5-Chloro-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone

ID: Reference10493

Other Names: NAT31-456712

Formula: C18H22ClN3O2

Spectral Data

1-{4-[(3S)-3-(5-Chloro-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl}ethanone 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 602
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/28/2021 7:42:59 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H22ClN3O2/c1-12(23)21-8-5-15(6-9-21)22-7-4-13(11-22)18-20-16-10-14(19)2-3-17(16)24-18/h2-3,10,13,15H,4-9,11H2,1H3/t13-/m0/s1
InChI Key PMSHUKMNCNQAEL-ZDUSSCGKSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CCC(C2)C3=NC4=C(O3)C=CC(=C4)Cl
CAS
Splash
Other Names NAT31-456712

In Other Databases

PubChem 45784181
ChemSpider 29849918