CID 515677

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

Structural Information

Molecular Formula
C40H52N2O2
SMILES
CCCC1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCCN6CCC(CC6)CCC
InChI
InChI=1S/C40H52N2O2/c1-3-8-29-18-24-41(25-19-29)22-6-12-38(43)31-14-15-32-34-10-5-11-35-33(16-17-36(40(34)35)37(32)28-31)39(44)13-7-23-42-26-20-30(9-4-2)21-27-42/h5,10-11,14-17,28-30H,3-4,6-9,12-13,18-27H2,1-2H3
InChIKey
PFLMPABAQARBCW-UHFFFAOYSA-N
Compound name
4-(4-propylpiperidin-1-yl)-1-[4-[4-(4-propylpiperidin-1-yl)butanoyl]fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

592.4029 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41018 256.4
[M+Na]+ 615.39212 253.9
[M-H]- 591.39562 260.4
[M+NH4]+ 610.43672 259.6
[M+K]+ 631.36606 244.5
[M+H-H2O]+ 575.40016 241.8
[M+HCOO]- 637.40110 259.1
[M+CH3COO]- 651.41675 256.8
[M+Na-2H]- 613.37757 245.8
[M]+ 592.40235 253.5
[M]- 592.40345 253.5
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.