Metabolite 10-hydroxydidemethylimipramine

Name

10-hydroxydidemethylimipramine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 268.36
Monoisotopic: 268.157563272

Chemical Formula

C₁₇H₂₀N₂O

InChI Key

PLLIYJKHJBYSBM-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N2O/c18-10-5-11-19-15-8-3-1-6-13(15)12-17(20)14-7-2-4-9-16(14)19/h1-4,6-9,17,20H,5,10-12,18H2

IUPAC Name

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

SMILES

[H]N([H])CCCN1C2=CC=CC=C2CC(O)C2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ue9-0090000000-4fda23913d6fa1ee1d63
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0190000000-c5b74db96781126b9bf8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-f574e469a01d88590c48
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0290000000-815d1cc60e28cc2fe2ba
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-3890000000-0c1e62cbdb97e3cc1b90
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05mo-0690000000-1decebe01a3c447690a1

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	155.85045	predicted	DeepCCS 1.0 (2019)
[M+H]+	158.24602	predicted	DeepCCS 1.0 (2019)
[M+Na]+	164.29425	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties