Metabolite (R)-mianserin, 8-hydroxy

Name

(R)-mianserin, 8-hydroxy

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 280.371
Monoisotopic: 280.157563272

Chemical Formula

C₁₈H₂₀N₂O

InChI Key

IXAPYQICIDTITB-SFHVURJKSA-N

InChI

InChI=1S/C18H20N2O/c1-19-8-9-20-17-11-15(21)7-6-14(17)10-13-4-2-3-5-16(13)18(20)12-19/h2-7,11,18,21H,8-10,12H2,1H3/t18-/m0/s1

IUPAC Name

(7R)-5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaen-18-ol

SMILES

[H]C1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])N(C3=C(C([H])=C([H])C(O)=C3[H])C2([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C1([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-521746bea6f85dc4e2d0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-08166da255308c1d2f63
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-5c5428a13d88d7686101
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-3e703f833f8c9d88b8b0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-1290000000-7651981e2eeb623dc90f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0h2r-0090000000-624c4f8a271d16f416d2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	176.25362	predicted	DeepCCS 1.0 (2019)
[M+H]+	178.14902	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.20605	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties