Metabolite Flunarizine metabolite M2

Name

Flunarizine metabolite M2

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 420.4942
Monoisotopic: 420.201319874

Chemical Formula

C₂₆H₂₆F₂N₂O

InChI Key

BORXUYRMIOAMIE-OWOJBTEDSA-N

InChI

InChI=1S/C26H26F2N2O/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)30-18-16-29(17-19-30)15-1-2-20-3-13-25(31)14-4-20/h1-14,26,31H,15-19H2/b2-1+

IUPAC Name

4-[(1E)-3-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}prop-1-en-1-yl]phenol

SMILES

OC1=CC=C(\C=C\CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0010900000-d93834e4608f66fdaca3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0204900000-a491d70d285dcef86da0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014l-0009500000-3ce13f94e8d80fb1aabd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0091700000-dd4994fc0218e824124c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-2690200000-e84c4531f29fd1f468c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0159-0972100000-0691de58047b61aa2213

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	203.61426	predicted	DeepCCS 1.0 (2019)
[M+H]+	205.97227	predicted	DeepCCS 1.0 (2019)
[M+Na]+	212.06541	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties