Metabolite N,N-didesmethyltamoxifen

Name

N,N-didesmethyltamoxifen

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

LHP6JE56UZ

CAS number

Not Available

Weight

Average: 343.4614
Monoisotopic: 343.193614427

Chemical Formula

C₂₄H₂₅NO

InChI Key

MCJKBWHDNUSJLW-VHXPQNKSSA-N

InChI

InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-

IUPAC Name

2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethan-1-amine

SMILES

CC\C(=C(/C1=CC=CC=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-8498000000-1c1920b1bd9b272d5e1c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002b-0191000000-3758513a95e0e784bdd3
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0096-1289000000-a3389ed82c4708cafee8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-507c1106ea60105f0194
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0v4l-0968000000-c19c3b8b789a0d07d2d9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-1aa3aa3d59b1f84ad1d2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-053u-1930000000-ded0dcb716e2f3ef9cf6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	202.3205101	predicted	DarkChem Lite v0.1.0
[M-H]-	186.2145	predicted	DeepCCS 1.0 (2019)
[M+H]+	203.1877101	predicted	DarkChem Lite v0.1.0
[M+H]+	188.70322	predicted	DeepCCS 1.0 (2019)
[M+Na]+	202.6207101	predicted	DarkChem Lite v0.1.0
[M+Na]+	195.86436	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties