Metabolite N-desmethyl-galantamine

Name

N-desmethyl-galantamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

2BPQ4IVQ21

CAS number

Not Available

Weight

Average: 273.332
Monoisotopic: 273.136493476

Chemical Formula

C₁₆H₁₉NO₃

InChI Key

AIXQQSTVOSFSMO-RBOXIYTFSA-N

InChI

InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1

IUPAC Name

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

SMILES

[H][C@]12C[C@@H](O)C=C[C@]11CCNCC3=C1C(O2)=C(OC)C=C3

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-c8e1018c35a9ff980b34
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-945b16e7c846cba93ea3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-0090000000-dff17b7d9f3e6e7c1295
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-f4e6569aa7ac656929e5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ab9-1090000000-ebfff0e4bcda745f2039
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0190000000-5cf626faeb1c36fe651a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.4263829	predicted	DarkChem Lite v0.1.0
[M-H]-	163.04266	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.8333829	predicted	DarkChem Lite v0.1.0
[M+H]+	165.40067	predicted	DeepCCS 1.0 (2019)
[M+Na]+	170.0683829	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.33665	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties