Metabolite Tamoxifen Metabolite E

Name

Tamoxifen Metabolite E

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 300.401
Monoisotopic: 300.151415264

Chemical Formula

C₂₂H₂₀O

InChI Key

YJVFSITVRZYTHO-DQRAZIAOSA-N

InChI

InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21-

IUPAC Name

4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenol

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f79-0908000000-6d40ad0ab97cc459c1e5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001j-0960000000-158df645342719306da2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uxr-0907000000-1ec8476347faa449053c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-006t-0190000000-4467762d1fe463eb6b61
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0kuu-2900000000-a34d229b0e169536b5b1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-053s-0290000000-ef3766272c4520390b67

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.12839	predicted	DeepCCS 1.0 (2019)
[M+H]+	180.71327	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.22148	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties