CID 941361

Flunarizine

Structural Information

Molecular Formula
C26H26F2N2
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
Compound name
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1540
References

18123
Patents

404.2064 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21368 201.7
[M+Na]+ 427.19562 205.3
[M-H]- 403.19912 206.8
[M+NH4]+ 422.24022 208.1
[M+K]+ 443.16956 196.0
[M+H-H2O]+ 387.20366 186.5
[M+HCOO]- 449.20460 214.1
[M+CH3COO]- 463.22025 207.7
[M+Na-2H]- 425.18107 200.1
[M]+ 404.20585 193.5
[M]- 404.20695 193.5
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.