Metabolite (R)-Norfluoxetine

Name

(R)-Norfluoxetine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

05UQ1299DN

CAS number

Not Available

Weight

Average: 295.305
Monoisotopic: 295.118398628

Chemical Formula

C₁₆H₁₆F₃NO

InChI Key

WIQRCHMSJFFONW-OAHLLOKOSA-N

InChI

InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1

IUPAC Name

(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES

[H]NC([H])([H])C([H])([H])[C@@]([H])(OC1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C([H])C([H])=C1[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-015d-4960000000-cf1f8b175ab548b158a0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ik9-0960000000-9d5366d49f538ab21fe3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0920000000-859b3e370f827529128e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-1910000000-0c2db2a0b0446205fba1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0gvp-3950000000-6637fda494eda62d720f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0900000000-82115735634d15700d32

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.90099	predicted	DeepCCS 1.0 (2019)
[M+H]+	170.90143	predicted	DeepCCS 1.0 (2019)
[M+Na]+	177.12282	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties