Molecule

1H-indole-2,3-dione

Chemical Information

Molecular Image

InChI	InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
SMILES	O=C1C(=O)Nc2c1cccc2
InChI Key	JXDYKVIHCLTXOP-UHFFFAOYSA-N
Exact Mass	147.131 g/mol

20 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

Isatin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Isatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Isatin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Isatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Isatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Isatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Isatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Isatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Isatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Isatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

Isatin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol3735
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB02095	drugbank
CHEBI:27539	chebi
ISN	rcsb_pdb
CHEMBL326294	chembl
28614049	surechembl
31087266	surechembl
34016	surechembl
7073534	surechembl
7054	pubchem
82X95S7M06	fdasrs
PD008558	probes_and_drugs
ISATIN	CCDC
135332	brenda
163986	brenda
227241	brenda
227512	brenda
805	brenda
ISN	pdbe
HMDB0061933	hmdb
DTXSID3038694	comptox
Molport-000-871-222	molport
11022	bindingdb
The data in this table is sourced from UniChem at EBI.