Metabolite Nortrimebutine

Name

Nortrimebutine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

OI1BF6F0VD

CAS number

Not Available

Weight

Average: 373.449
Monoisotopic: 373.188922973

Chemical Formula

C₂₁H₂₇NO₅

InChI Key

ZFPDLGDYDUPYEZ-UHFFFAOYSA-N

InChI

InChI=1S/C21H27NO5/c1-6-21(22-2,16-10-8-7-9-11-16)14-27-20(23)15-12-17(24-3)19(26-5)18(13-15)25-4/h7-13,22H,6,14H2,1-5H3

IUPAC Name

2-(methylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

SMILES

CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(NC)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ec-1629000000-69e0f99910d533936724
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0419000000-a35a94cf0853e26eff76
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dj-0629000000-c0a654f3352d6428a843
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001l-1923000000-7a89ed623187194041c8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00xr-7911000000-69b3859a962d3483a774
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0900000000-92183e178865054e9578

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	201.30968	predicted	DeepCCS 1.0 (2019)
[M+H]+	203.85133	predicted	DeepCCS 1.0 (2019)
[M+Na]+	212.1542	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties