Metabolite norcodeine

Name

norcodeine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

32W9P3T4ML

CAS number

Not Available

Weight

Average: 285.3377
Monoisotopic: 285.136493479

Chemical Formula

C₁₇H₁₉NO₃

InChI Key

HKOIXWVRNLGFOR-KUYPYUECSA-N

InChI

InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12+,16+,17+/m1/s1

IUPAC Name

(1S,5R,13R,14S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol

SMILES

COC1=CC=C2C[C@H]3NCC[C@@]45[C@@H](OC1=C24)[C@@H](O)C=CC35

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-d0efaf29838254c71c9f
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-0090000000-765bb3f4f3fbab441af4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-cec7b2bed228f1d649bf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-a90b133059a3827ffe7d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0hhc-0090000000-aa8c406867fd61c52dc6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	171.3149	predicted	DeepCCS 1.0 (2019)
[M+H]+	173.71046	predicted	DeepCCS 1.0 (2019)
[M+Na]+	180.14221	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties