Metabolite N-desmethyl-4'-hydroxy benztropine

Name

N-desmethyl-4'-hydroxy benztropine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 309.409
Monoisotopic: 309.172878985

Chemical Formula

C₂₀H₂₃NO₂

InChI Key

GPMCUUWFMNPMGJ-RUYXUALKSA-N

InChI

InChI=1S/C20H23NO2/c22-20(13-17-11-12-18(14-20)21-17)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2/t17-,18+,20+

IUPAC Name

(1R,3R,5S)-3-(diphenylmethoxy)-8-azabicyclo[3.2.1]octan-3-ol

SMILES

[H][C@]12CC[C@]([H])(C[C@@](O)(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0109000000-cf7a7d70e37974e74763
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0709000000-93e586143170e13cc506
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0bvl-0923000000-60030200c6577217914c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0906000000-dc5b4cea7e2c34f4b89a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9400000000-96ae1dfd5a9019795562
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1920000000-3532d1d569369c289b01

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.78816	predicted	DeepCCS 1.0 (2019)
[M+H]+	173.18373	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.74892	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties