Metabolite N-Dealkylated tolterodine

Name

N-Dealkylated tolterodine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 283.415
Monoisotopic: 283.193614429

Chemical Formula

C₁₉H₂₅NO

InChI Key

CPLYUIYTJCFQJD-KRWDZBQOSA-N

InChI

InChI=1S/C19H25NO/c1-14(2)20-12-11-17(16-7-5-4-6-8-16)18-13-15(3)9-10-19(18)21/h4-10,13-14,17,20-21H,11-12H2,1-3H3/t17-/m0/s1

IUPAC Name

4-methyl-2-[(1S)-1-phenyl-3-[(propan-2-yl)amino]propyl]phenol

SMILES

[H][C@](CCNC(C)C)(C1=CC=CC=C1)C1=C(O)C=CC(C)=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-2290000000-6748cb99a3d371672d3a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-dde1308208a0977fb395
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a5c-3970000000-3febb77c76a31696c1ae
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-2950000000-149c0bb37229d2c15ddb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kf-5920000000-19f2700edce0508794e9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ku6-2910000000-2dfc75aec6aa5c6aa588

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	173.48842	predicted	DeepCCS 1.0 (2019)
[M+H]+	175.84642	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.62398	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties