Metabolite O-desmethyl-galantaminone

Name

O-desmethyl-galantaminone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 271.316
Monoisotopic: 271.120843411

Chemical Formula

C₁₆H₁₇NO₃

InChI Key

SFXRCSXBOPHUNV-BBRMVZONSA-N

InChI

InChI=1S/C16H17NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,13,19H,6-9H2,1H3/t13-,16-/m0/s1

IUPAC Name

(1S,12S)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6(17),7,9,15-tetraen-14-one

SMILES

[H][C@]12CC(=O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(O)C=C3

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-1e563a003dec899a9598
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-44d3c6dfbbd7ecd1feb1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-f275fb911b89b8b8b710
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-9258872d8d4bccb0f418
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0wbc-0090000000-6953162da55368c7e861
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0pi0-4090000000-a65bdf6f7e4ea55130c0

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	164.10515	predicted	DeepCCS 1.0 (2019)
[M+H]+	166.46315	predicted	DeepCCS 1.0 (2019)
[M+Na]+	173.33676	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties