CID 515680

1-butanone, 1,1'-(3,9-fluoranthenediyl)bis[4-[4-(3-phenylpropyl)-1-piperidinyl]-

Structural Information

Molecular Formula
C52H60N2O2
SMILES
C1CN(CCC1CCCC2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)C5=CC=CC6=C(C=CC4=C65)C(=O)CCCN7CCC(CC7)CCCC8=CC=CC=C8
InChI
InChI=1S/C52H60N2O2/c55-50(22-10-32-53-34-28-41(29-35-53)18-7-16-39-12-3-1-4-13-39)43-24-25-44-46-20-9-21-47-45(26-27-48(52(46)47)49(44)38-43)51(56)23-11-33-54-36-30-42(31-37-54)19-8-17-40-14-5-2-6-15-40/h1-6,9,12-15,20-21,24-27,38,41-42H,7-8,10-11,16-19,22-23,28-37H2
InChIKey
NLIDUCAYJXFPBH-UHFFFAOYSA-N
Compound name
4-[4-(3-phenylpropyl)piperidin-1-yl]-1-[4-[4-[4-(3-phenylpropyl)piperidin-1-yl]butanoyl]fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

744.46545 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.47273 286.3
[M+Na]+ 767.45467 279.7
[M-H]- 743.45817 293.8
[M+NH4]+ 762.49927 281.0
[M+K]+ 783.42861 268.6
[M+H-H2O]+ 727.46271 266.9
[M+HCOO]- 789.46365 286.3
[M+CH3COO]- 803.47930 282.7
[M+Na-2H]- 765.44012 273.6
[M]+ 744.46490 280.1
[M]- 744.46600 280.1
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.