CID 3074768

161364-79-0

Structural Information

Molecular Formula
C31H33F2N3O4S
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C31H33F2N3O4S/c1-39-26-4-2-3-5-27(26)40-21-30-36(18-19-41-30)29(38)20-28(37)34-14-16-35(17-15-34)31(22-6-10-24(32)11-7-22)23-8-12-25(33)13-9-23/h2-13,30-31H,14-21H2,1H3
InChIKey
DWNIUJLSEZPCRP-UHFFFAOYSA-N
Compound name
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

581.216 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.22328 236.1
[M+Na]+ 604.20522 245.6
[M+NH4]+ 599.24982 239.4
[M+K]+ 620.17916 238.9
[M-H]- 580.20872 239.6
[M+Na-2H]- 602.19067 241.8
[M]+ 581.21545 238.5
[M]- 581.21655 238.5
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

No patent data available for this compound.