Metabolite 2-hydroxydesipramine

Name

2-hydroxydesipramine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

VO1Y07E90C

CAS number

Not Available

Weight

Average: 282.3801
Monoisotopic: 282.173213336

Chemical Formula

C₁₈H₂₂N₂O

InChI Key

NVJBOLMRGMDGLD-UHFFFAOYSA-N

InChI

InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3

IUPAC Name

2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-6-ol

SMILES

CNCCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00dl-5090000000-8e76a4f07afb1e4fce73
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uk9-4090000000-8b933406e80ca2b983d3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-0090000000-3b8c54023c0d85f92794
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-2090000000-25dea00e60ca4b4af95b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-f71b10f447a61256339d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-3790000000-8a8a2584bfa11bb72681
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-0590000000-e213333c94c5be1aa062

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.9176683	predicted	DarkChem Lite v0.1.0
[M-H]-	178.8163683	predicted	DarkChem Lite v0.1.0
[M-H]-	160.19154	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.5307683	predicted	DarkChem Lite v0.1.0
[M+H]+	179.2887683	predicted	DarkChem Lite v0.1.0
[M+H]+	162.54958	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.4468683	predicted	DarkChem Lite v0.1.0
[M+Na]+	179.1851683	predicted	DarkChem Lite v0.1.0
[M+Na]+	168.64272	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties