Metabolite 10-alpha-methoxy-9,10-dihydrolysergol

Name

10-alpha-methoxy-9,10-dihydrolysergol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 286.3688
Monoisotopic: 286.168127958

Chemical Formula

C₁₇H₂₂N₂O₂

InChI Key

JGQZSBLQHCTAJF-NFXPUDJFSA-N

InChI

InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15?,17?/m1/s1

IUPAC Name

[(4R)-2-methoxy-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]methanol

SMILES

COC12C[C@@H](CO)CN(C)C1CC1=CNC3=CC=CC2=C13

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-004s-1950000000-d8367098f8214f599e0a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-80fc3d725af9edd87c24
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052r-0090000000-2d014a95a80b02a0fc8c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-ac3c4bca13bb804d4a51
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-e38117901f7e3e022fd2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0v10-0590000000-d588a41bfa971c83ec96
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kr-0490000000-b6306b30b568c89c6ede

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	172.4170748	predicted	DarkChem Lite v0.1.0
[M-H]-	163.6935	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.7769748	predicted	DarkChem Lite v0.1.0
[M+H]+	166.05147	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.6033748	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.71721	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties