Metabolite Cinnarizine metabolite M4

Name

Cinnarizine metabolite M4

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

UQMAKWWGLMGUQQ-UHFFFAOYSA-N

InChI

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

IUPAC Name

4-{phenyl[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}phenol

SMILES

OC1=CC=C(C=C1)C(N1CCN(CC=CC2=CC=CC=C2)CC1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-067i-0983000000-328130e553097df1d5cb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0109000000-46b993fdcfdfcf0de839
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0029000000-c18648c7012b86a68e37
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0019-0819000000-f587cd7e28556621fffc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a5l-2911000000-846cabfc85c90cbb3223
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0029000000-d7ab5afd885b164834ba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-044j-3951000000-f50a2bad4e21227bb5bd

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.83197	predicted	DeepCCS 1.0 (2019)
[M+H]+	190.18999	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.10374	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties