Metabolite Clozapine N-oxide

Name

Clozapine N-oxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

MZA8BK588J

CAS number

Not Available

Weight

Average: 342.823
Monoisotopic: 342.124738957

Chemical Formula

C₁₈H₁₉ClN₄O

InChI Key

OGUCZBIQSYYWEF-UHFFFAOYSA-N

InChI

InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

IUPAC Name

4-{6-chloro-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl}-1-methylpiperazin-1-ium-1-olate

SMILES

C[N+]1([O-])CCN(CC1)C1=NC2=C(NC3=CC=CC=C13)C=CC(Cl)=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00or-6259000000-662cd23aab72b789b171

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	185.2206248	predicted	DarkChem Lite v0.1.0
[M-H]-	173.13838	predicted	DeepCCS 1.0 (2019)
[M+H]+	186.0417248	predicted	DarkChem Lite v0.1.0
[M+H]+	175.49637	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.1254248	predicted	DarkChem Lite v0.1.0
[M+Na]+	181.69614	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties