Metabolite O-desmethyl-epigalantamine

Name

O-desmethyl-epigalantamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

KHF25P7J35

CAS number

Not Available

Weight

Average: 273.332
Monoisotopic: 273.136493476

Chemical Formula

C₁₆H₁₉NO₃

InChI Key

OYSGWKOGUVOGFQ-FFSVYQOJSA-N

InChI

InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13+,16+/m1/s1

IUPAC Name

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

SMILES

[H][C@]12C[C@H](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-cb1762f11393b8ebc2e9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-24c910312f9dfb67c081
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-95ed7384c8748d6c6591
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-042ff7e7532183db77c5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ab9-2090000000-f09f06144e13aaafb727
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6x-0090000000-ba3050feb0f95b49f046

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M-H]-	165.2722	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.63019	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.51826	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties