CID 515659

Bis(1-methyl-4-piperidyl) fluoranthene-3,9-dicarboxylate

Structural Information

Molecular Formula
C30H32N2O4
SMILES
CN1CCC(CC1)OC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)OC6CCN(CC6)C
InChI
InChI=1S/C30H32N2O4/c1-31-14-10-20(11-15-31)35-29(33)19-6-7-22-23-4-3-5-24-26(9-8-25(28(23)24)27(22)18-19)30(34)36-21-12-16-32(2)17-13-21/h3-9,18,20-21H,10-17H2,1-2H3
InChIKey
WGAUDJPLTOEWOW-UHFFFAOYSA-N
Compound name
bis(1-methylpiperidin-4-yl) fluoranthene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.2362 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24348 218.9
[M+Na]+ 507.22542 221.0
[M-H]- 483.22892 225.6
[M+NH4]+ 502.27002 227.0
[M+K]+ 523.19936 215.3
[M+H-H2O]+ 467.23346 206.4
[M+HCOO]- 529.23440 225.8
[M+CH3COO]- 543.25005 223.8
[M+Na-2H]- 505.21087 214.3
[M]+ 484.23565 216.2
[M]- 484.23675 216.2
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.