CID 102217557

Flunarizine n-oxide dihydrochloride

Structural Information

Molecular Formula
C26H26F2N2O
SMILES
C1C[N+](CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)(C/C=C/C4=CC=CC=C4)[O-]
InChI
InChI=1S/C26H26F2N2O/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)29-16-19-30(31,20-17-29)18-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
InChIKey
CFOFJASKAOBSRJ-QPJJXVBHSA-N
Compound name
4-[bis(4-fluorophenyl)methyl]-1-oxido-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.20132 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20860 203.8
[M+Na]+ 443.19054 206.7
[M-H]- 419.19404 207.8
[M+NH4]+ 438.23514 210.5
[M+K]+ 459.16448 193.0
[M+H-H2O]+ 403.19858 193.2
[M+HCOO]- 465.19952 215.1
[M+CH3COO]- 479.21517 216.0
[M+Na-2H]- 441.17599 204.5
[M]+ 420.20077 193.0
[M]- 420.20187 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.