Metabolite Flunarizine metabolite M1

Name

Flunarizine metabolite M1

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

JT57UD83SY

CAS number

Not Available

Weight

Average: 288.335
Monoisotopic: 288.143804996

Chemical Formula

C₁₇H₁₈F₂N₂

InChI Key

TTXIFFYPVGWLSE-UHFFFAOYSA-N

InChI

InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2

IUPAC Name

1-[bis(4-fluorophenyl)methyl]piperazine

SMILES

FC1=CC=C(C=C1)C(N1CCNCC1)C1=CC=C(F)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0f6x-9860000000-9bb3b6a22b7d1ff22de6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-dbe55d47f6e97f4f45c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-d58da66be98849446483
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-8061c0b1d7d9c1486d25
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udr-0190000000-6a9faaa5aec5b312cdb8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-3890000000-c24e34434265d13782c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00m1-8490000000-3c6b955959ef205f505a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.05501	predicted	DeepCCS 1.0 (2019)
[M+H]+	170.41301	predicted	DeepCCS 1.0 (2019)
[M+Na]+	176.50615	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties