Metabolite N-desmethylbenztropine

Name

N-desmethylbenztropine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 293.41
Monoisotopic: 293.177964365

Chemical Formula

C₂₀H₂₃NO

InChI Key

COZMFOURMKXNSW-BWTSREIZSA-N

InChI

InChI=1S/C20H23NO/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-19-13-17-11-12-18(14-19)21-17/h1-10,17-21H,11-14H2/t17-,18+,19+

IUPAC Name

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

SMILES

[H][C@]12CC[C@]([H])(C[C@@]([H])(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	splash10-0006-0090000000-48d48209de4329b5f45a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0290000000-1d0bed0598e2d30a7ba8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-1890000000-0be8aadebd44b4c416b2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-0950000000-682798a7949919279632
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kf-5900000000-88d8736d607208b0b9ef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0910000000-f1ca70a67633a4bdd235

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.09962	predicted	DeepCCS 1.0 (2019)
[M+H]+	170.4952	predicted	DeepCCS 1.0 (2019)
[M+Na]+	176.91525	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties