Metabolite Normorphine

Name

Normorphine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

XUI1Y24IMI

CAS number

Not Available

Weight

Average: 271.3111
Monoisotopic: 271.120843415

Chemical Formula

C₁₆H₁₇NO₃

InChI Key

ONBWJWYUHXVEJS-UHFFFAOYSA-N

InChI

InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2

IUPAC Name

12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol

SMILES

OC1C=CC2C3CC4=C5C(OC1C25CCN3)=C(O)C=C4

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0fbc-5090000000-6eeca1c1cd96a770d857
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-8548e1703d401a05297f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-cba2b01f9a7fb0a8e8a2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-8548e1703d401a05297f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-388b4eeed5b6a249d4d3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0g06-0090000000-bb0ad295c4691c2278bb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0h90-0090000000-894f77d2224b2d584526

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	162.8775604	predicted	DarkChem Lite v0.1.0
[M-H]-	163.95421	predicted	DeepCCS 1.0 (2019)
[M+H]+	163.8623604	predicted	DarkChem Lite v0.1.0
[M+H]+	166.31221	predicted	DeepCCS 1.0 (2019)
[M+Na]+	162.4701604	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.40535	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties