CID 515689

1-pentanone, 1,1'-(3,9-fluoranthenediyl)bis[5-(4-propyl-1-piperidinyl)-

Structural Information

Molecular Formula
C42H56N2O2
SMILES
CCCC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCCCN6CCC(CC6)CCC
InChI
InChI=1S/C42H56N2O2/c1-3-10-31-20-26-43(27-21-31)24-7-5-14-40(45)33-16-17-34-36-12-9-13-37-35(18-19-38(42(36)37)39(34)30-33)41(46)15-6-8-25-44-28-22-32(11-4-2)23-29-44/h9,12-13,16-19,30-32H,3-8,10-11,14-15,20-29H2,1-2H3
InChIKey
GJRYKPMCWUMKFY-UHFFFAOYSA-N
Compound name
5-(4-propylpiperidin-1-yl)-1-[4-[5-(4-propylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

620.4342 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44148 264.6
[M+Na]+ 643.42342 261.1
[M-H]- 619.42692 268.1
[M+NH4]+ 638.46802 266.5
[M+K]+ 659.39736 251.4
[M+H-H2O]+ 603.43146 249.6
[M+HCOO]- 665.43240 266.5
[M+CH3COO]- 679.44805 264.1
[M+Na-2H]- 641.40887 253.0
[M]+ 620.43365 262.2
[M]- 620.43475 262.2
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.