Metabolite E-10-Hydroxydesmethylnortriptyline

Name

E-10-Hydroxydesmethylnortriptyline

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 265.3496
Monoisotopic: 265.146664235

Chemical Formula

C₁₈H₁₉NO

InChI Key

PIEVJGJKDMQGSG-XNTDXEJSSA-N

InChI

InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+

IUPAC Name

(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

SMILES

[H]\C(CCN)=C1\C2=CC=CC=C2CC(O)C2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-001i-9380000000-7f30b4b3e8709cb182ac
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-0090000000-da283814ffce2e901452
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-55745879359913cfa8b0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-fdd749913e8c20cd49e2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-1a0c4cf7395103384d61
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a59-0190000000-fdd42eb9337f262bf04c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gdi-0090000000-ccaf140f4a8d7a324841

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	174.5660711	predicted	DarkChem Lite v0.1.0
[M-H]-	165.22221	predicted	DeepCCS 1.0 (2019)
[M+H]+	175.3407711	predicted	DarkChem Lite v0.1.0
[M+H]+	167.58022	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.7086711	predicted	DarkChem Lite v0.1.0
[M+Na]+	173.67336	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties