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

1320
References

17061
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

literature stripe

Patent stripe

patents stripe