Metabolite N-desmethylthioridazine

Name

N-desmethylthioridazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

7A5S57JJJB

CAS number

Not Available

Weight

Average: 356.55
Monoisotopic: 356.138091129

Chemical Formula

C₂₀H₂₄N₂S₂

InChI Key

UFDCSHQNNVQXAS-UHFFFAOYSA-N

InChI

InChI=1S/C20H24N2S2/c1-23-16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3

IUPAC Name

2-(methylsulfanyl)-10-[2-(piperidin-2-yl)ethyl]-10H-phenothiazine

SMILES

[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(SC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])C1([H])NC([H])([H])C([H])([H])C([H])([H])C1([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0309000000-3a0c552c06a59aed51d1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-cac334c2e40d411c8001
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-bdd663ad5da0bc6bbc62
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1019000000-54efb90e649abd069c7c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08fr-4829000000-e7952e82c1e65f1b6454
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0005-1192000000-b9e54227b9ed99415785

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	188.64989	predicted	DeepCCS 1.0 (2019)
[M+H]+	190.37361	predicted	DeepCCS 1.0 (2019)
[M+Na]+	196.70256	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties