CID 515672

1-propanone, 1,1'-(3,9-fluoranthenediyl)bis[3-(1-piperidinyl)-

Structural Information

Molecular Formula
C32H36N2O2
SMILES
C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCN6CCCCC6
InChI
InChI=1S/C32H36N2O2/c35-30(14-20-33-16-3-1-4-17-33)23-10-11-24-26-8-7-9-27-25(12-13-28(32(26)27)29(24)22-23)31(36)15-21-34-18-5-2-6-19-34/h7-13,22H,1-6,14-21H2
InChIKey
OWWKFHWZKCSWNA-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)fluoranthen-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.27768 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.28496 220.2
[M+Na]+ 503.26690 220.0
[M-H]- 479.27040 225.5
[M+NH4]+ 498.31150 227.8
[M+K]+ 519.24084 211.9
[M+H-H2O]+ 463.27494 206.8
[M+HCOO]- 525.27588 226.2
[M+CH3COO]- 539.29153 223.9
[M+Na-2H]- 501.25235 215.4
[M]+ 480.27713 214.5
[M]- 480.27823 214.5
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.