Metabolite Galantaminone

Name

Galantaminone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

ATP706417H

CAS number

Not Available

Weight

Average: 285.343
Monoisotopic: 285.136493476

Chemical Formula

C₁₇H₁₉NO₃

InChI Key

QENVUHCAYXAROT-YOEHRIQHSA-N

InChI

InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1

IUPAC Name

(1S,12S)-9-methoxy-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(OC)C=C3

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-6c1f0415ed86139fc670
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-f7a49eb87bccce7e9636
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-e79d7872ad08402214a7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-c68f674f77e60daf112a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-06fu-7090000000-1f0fefbd2ccc0bfc14b3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-02tc-0090000000-848956b3e8582ab8f85c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	176.3148406	predicted	DarkChem Lite v0.1.0
[M-H]-	176.2710406	predicted	DarkChem Lite v0.1.0
[M-H]-	166.92747	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.7458406	predicted	DarkChem Lite v0.1.0
[M+H]+	176.7232406	predicted	DarkChem Lite v0.1.0
[M+H]+	169.28548	predicted	DeepCCS 1.0 (2019)
[M+Na]+	176.5598406	predicted	DarkChem Lite v0.1.0
[M+Na]+	176.4072406	predicted	DarkChem Lite v0.1.0
[M+Na]+	176.20515	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties