Metabolite Norapomorphine

Name

Norapomorphine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 253.301
Monoisotopic: 253.110278727

Chemical Formula

C₁₆H₁₅NO₂

InChI Key

MHPQCGZBAVXCGA-GFCCVEGCSA-N

InChI

InChI=1S/C16H15NO2/c18-13-5-4-10-8-12-14-9(6-7-17-12)2-1-3-11(14)15(10)16(13)19/h1-5,12,17-19H,6-8H2/t12-/m1/s1

IUPAC Name

(9R)-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol

SMILES

[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1)=C23

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-4296f5d8ad33cc7f3d70
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-aacee66cc238a267776d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-6449cb4ffa7117772822
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0077-0960000000-b18dc55cd3cad0e0bfc6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0290000000-d67608243ca106c4caf6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ko-0960000000-860e88ddbad2b3fb68c7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	164.0483068	predicted	DarkChem Lite v0.1.0
[M-H]-	160.44429	predicted	DeepCCS 1.0 (2019)
[M+H]+	164.2196068	predicted	DarkChem Lite v0.1.0
[M+H]+	162.80229	predicted	DeepCCS 1.0 (2019)
[M+Na]+	163.8021068	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.89545	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties