Metabolite 8-Hydroxymianserin

Name

8-Hydroxymianserin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

CD0R9QB6HD

CAS number

Not Available

Weight

Average: 280.371
Monoisotopic: 280.157563272

Chemical Formula

C₁₈H₂₀N₂O

InChI Key

YTMQIPGEXLWJTN-UHFFFAOYSA-N

InChI

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

IUPAC Name

5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(19),8,10,12,15,17-hexaen-17-ol

SMILES

[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])C1=C([H])C(O)=C([H])C([H])=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C21[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-30f226ae9eef715cca80
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-573e17359647e6c0e0a6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-b2dbd15aae7f097cfbbd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ei-0290000000-5be14c5d901b6b20a9cb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0190000000-15dbf1b9bbefaa7b8612
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-ccb5cde9a7ea49dcd6e7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.88783	predicted	DeepCCS 1.0 (2019)
[M+H]+	171.78322	predicted	DeepCCS 1.0 (2019)
[M+Na]+	177.77995	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties