Molecule

nfdi4chem-mol54827(Unknown Molecule)

Chemical Information

Molecular Image

InChI	InChI=1S/C20H18N4O5S/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29/h3-11,25-26H,1-2H3,(H,27,28,29)/b23-21+,24-22+
SMILES	CC1=CC(C)=CC=C1/N=N/C1C(O)=C(C=CC=1O)/N=N/C1C=CC(=CC=1)S(O)(=O)=O
InChI Key	SQOXGXCYIDDLGW-MBALSZOMSA-N
Exact Mass	426.100 g/mol

6 Related Dataset(s) ⌄

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 10; [M+H]+

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 10; [M-H]-

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 20; [M+H]+

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 20; [M-H]-

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 40; [M+H]+

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 40; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol54827
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL2110699	chembl
110506	surechembl
31650975	surechembl
PD203274	probes_and_drugs
The data in this table is sourced from UniChem at EBI.