CID 515650

Bis[3-(1-piperidyl)propyl] fluoranthene-3,8-dicarboxylate

Structural Information

Molecular Formula
C34H40N2O4
SMILES
C1CCN(CC1)CCCOC(=O)C2=CC3=C(C=C2)C4=C5C3=CC=CC5=C(C=C4)C(=O)OCCCN6CCCCC6
InChI
InChI=1S/C34H40N2O4/c37-33(39-22-8-20-35-16-3-1-4-17-35)25-12-13-26-29-14-15-30(27-10-7-11-28(32(27)29)31(26)24-25)34(38)40-23-9-21-36-18-5-2-6-19-36/h7,10-15,24H,1-6,8-9,16-23H2
InChIKey
YAIFLXQNFDXDQV-UHFFFAOYSA-N
Compound name
bis(3-piperidin-1-ylpropyl) fluoranthene-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

540.2988 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.30608 233.4
[M+Na]+ 563.28802 231.8
[M-H]- 539.29152 238.3
[M+NH4]+ 558.33262 238.4
[M+K]+ 579.26196 225.2
[M+H-H2O]+ 523.29606 219.6
[M+HCOO]- 585.29700 238.9
[M+CH3COO]- 599.31265 235.9
[M+Na-2H]- 561.27347 228.2
[M]+ 540.29825 230.8
[M]- 540.29935 230.8
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.