Metabolite Cinnarizine metabolite M2

Name

Cinnarizine metabolite M2

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 384.5133
Monoisotopic: 384.220163528

Chemical Formula

C₂₆H₂₈N₂O

InChI Key

QFWMZESBHJUDQQ-UHFFFAOYSA-N

InChI

InChI=1S/C26H28N2O/c29-25-15-13-22(14-16-25)8-7-17-27-18-20-28(21-19-27)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,26,29H,17-21H2

IUPAC Name

4-{3-[4-(diphenylmethyl)piperazin-1-yl]prop-1-en-1-yl}phenol

SMILES

OC1=CC=C(C=CCN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-066r-0933000000-ed6ad4a71ca3e86f429e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0109000000-36758a1e842e5654601e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0209000000-d3f989fca1cf8218bdd9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014r-0908000000-b9b0ba3a4d8708550101
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-053r-0009000000-89953e587c7d64682932
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014l-6926000000-97d6b905fb22bef35c6c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01c0-0922000000-f75be407741660e9d739

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	190.84053	predicted	DeepCCS 1.0 (2019)
[M+H]+	193.27733	predicted	DeepCCS 1.0 (2019)
[M+Na]+	200.82977	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties