Metabolite Norendoxifen (4-hydroxy-N,N-didesmethyltamoxifen)

Name

Norendoxifen (4-hydroxy-N,N-didesmethyltamoxifen)

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

51GJD354B5

CAS number

Not Available

Weight

Average: 359.4608
Monoisotopic: 359.188529049

Chemical Formula

C₂₄H₂₅NO₂

InChI Key

YCQBLTPGQSYLHD-VHXPQNKSSA-N

InChI

InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-

IUPAC Name

4-[(1Z)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-en-1-yl]phenol

SMILES

CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-001i-7279000000-32107621c3f6595078f6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ox-0259000000-e66c47dd366dc938ed0f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0349000000-5aab1ce890d0ff46a431
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0069000000-bc0fb8ba0b0bd9cecd42
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-1739000000-a351778d5c8d2699b23b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000j-0092000000-bc5347cb2d4f66c1165a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0005-1941000000-3b6d444b893c191c7eae

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	208.8510199	predicted	DarkChem Lite v0.1.0
[M-H]-	187.45921	predicted	DeepCCS 1.0 (2019)
[M+H]+	208.3726199	predicted	DarkChem Lite v0.1.0
[M+H]+	189.81721	predicted	DeepCCS 1.0 (2019)
[M+Na]+	208.7889199	predicted	DarkChem Lite v0.1.0
[M+Na]+	196.75945	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties