Metabolite 7-hydroxyolanzapine

Name

7-hydroxyolanzapine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 328.432
Monoisotopic: 328.135781972

Chemical Formula

C₁₇H₂₀N₄OS

InChI Key

SMNUCABXNXAPBY-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N4OS/c1-11-9-13-16(21-7-5-20(2)6-8-21)18-15-10-12(22)3-4-14(15)19-17(13)23-11/h3-4,9-10,19,22H,5-8H2,1-2H3

IUPAC Name

5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaen-12-ol

SMILES

CN1CCN(CC1)C1=NC2=C(NC3=C1C=C(C)S3)C=CC(O)=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0c2d-9053000000-108aea46e9a897572517
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-d1aeb0cedcf4938bc99b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-e7a989a1c606ccada7b6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0039000000-63c4944d5a530a7fc919
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0039000000-4a90393a502a6ebd6ffd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fmi-0091000000-0e9183b4e8acc0202840
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0091000000-82d975f6242e5f6a4acf

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	188.3674939	predicted	DarkChem Lite v0.1.0
[M-H]-	175.88402	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.9612939	predicted	DarkChem Lite v0.1.0
[M+H]+	178.242	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.8439939	predicted	DarkChem Lite v0.1.0
[M+Na]+	184.33516	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties