CID 515688

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

Structural Information

Molecular Formula
C38H48N2O2
SMILES
CC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCCCN6CCC(CC6)C
InChI
InChI=1S/C38H48N2O2/c1-27-16-22-39(23-17-27)20-5-3-10-36(41)29-12-13-30-32-8-7-9-33-31(14-15-34(38(32)33)35(30)26-29)37(42)11-4-6-21-40-24-18-28(2)19-25-40/h7-9,12-15,26-28H,3-6,10-11,16-25H2,1-2H3
InChIKey
KCNCWDVQFFBFOO-UHFFFAOYSA-N
Compound name
5-(4-methylpiperidin-1-yl)-1-[4-[5-(4-methylpiperidin-1-yl)pentanoyl]fluoranthen-8-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

564.3716 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.37888 248.0
[M+Na]+ 587.36082 246.6
[M-H]- 563.36432 252.6
[M+NH4]+ 582.40542 252.5
[M+K]+ 603.33476 237.5
[M+H-H2O]+ 547.36886 233.9
[M+HCOO]- 609.36980 251.5
[M+CH3COO]- 623.38545 249.4
[M+Na-2H]- 585.34627 238.5
[M]+ 564.37105 244.6
[M]- 564.37215 244.6
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.