Metabolite Tamoxifen Metabolite Y

Name

Tamoxifen Metabolite Y

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 344.454
Monoisotopic: 344.177630013

Chemical Formula

C₂₄H₂₄O₂

InChI Key

TWASUFZMILCYJY-VHXPQNKSSA-N

InChI

InChI=1S/C24H24O2/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/h3-16,25H,2,17-18H2,1H3/b24-23-

IUPAC Name

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

SMILES

CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCO)C=C1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-1389000000-218ec85101f28f5bfe1a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0191000000-27f32685121507065e05
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0v4i-0769000000-e77130b09596c0bf63fe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-b7746364cea8e8ee5394
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00e9-0090000000-4fbe8eba219d7a73cf97
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-053r-1950000000-3181bcba9da814d484b8

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.27519	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.97166	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.19072	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties