Molecule

(1'R,3R,12'R)-12'-methylspiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione

Chemical Information

Molecular Image

InChI	InChI=1S/C21H16N4O3/c1-20-18-22-13-8-4-2-6-11(13)17(27)25(18)15(16(26)24-20)10-21(20)12-7-3-5-9-14(12)23-19(21)28/h2-9,15H,10H2,1H3,(H,23,28)(H,24,26)/t15-,20+,21+/m1/s1
SMILES	C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@@]15C6=CC=CC=C6NC5=O)C(=O)N2
InChI Key	COXWNIZQNAMTQL-NQERJWCQSA-N
Exact Mass	372.122 g/mol

8 Related Dataset(s) ⌄

Alantrypinone; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+

Alantrypinone; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2606
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
10666980	pubchem
SIRVAQ	CCDC
DTXSID70891846	comptox
The data in this table is sourced from UniChem at EBI.