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

1
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

patents stripe