CAY10595

enlarge

Systematic / IUPAC Name: [5-Chloro-1'-(5-chloro-2-fluorobenzyl)-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetic acid

ID: Reference4443

Other Names: Spiro-indolinone analogue, 71;
Spiro[3H-indole-3,3'-pyrrolidine]-1(2H)-acetic acid, 5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxo-;
5-Chloro-1'-[5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxo-spiro[3H-indole-3,3'pyrrolidine]-1(2H)-acetic acid

Formula: C20H13Cl2FN2O5

Spectral Data

CAY10595 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 Elite
No. of Spectral Trees 1
No. of Spectra 1686
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/7/2016 9:04:27 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)
InChI Key IXKFWNVFUXXEFY-UHFFFAOYSA-N
Canonical SMILES C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=C(C=CC(=C4)Cl)F
CAS 916047160
Splash
Other Names Spiro-indolinone analogue, 71;
Spiro[3H-indole-3,3'-pyrrolidine]-1(2H)-acetic acid, 5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxo-;
5-Chloro-1'-[5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxo-spiro[3H-indole-3,3'pyrrolidine]-1(2H)-acetic acid

In Other Databases

ChemSpider 13091221
PubChem 15949395
ChEMBL CHEMBL258965