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]+ 421.208596 203.8
[M+Na]+ 443.190538 206.7
[M-H]- 419.194044 207.8
[M+NH4]+ 438.235143 210.5
[M+K]+ 459.164478 193.0
[M+H-H2O]+ 403.198580 193.2
[M+HCOO]- 465.199521 215.1
[M+CH3COO]- 479.215171 216.0
[M+Na-2H]- 441.175986 204.5
[M]+ 420.20077142 193.0
[M]- 420.20186858 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.