CID 515651

Bis(2-diethylaminoethyl) fluoranthene-3,9-dicarboxylate

Structural Information

Molecular Formula
C30H36N2O4
SMILES
CCN(CC)CCOC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)OCCN(CC)CC
InChI
InChI=1S/C30H36N2O4/c1-5-31(6-2)16-18-35-29(33)21-12-13-22-23-10-9-11-24-26(15-14-25(28(23)24)27(22)20-21)30(34)36-19-17-32(7-3)8-4/h9-15,20H,5-8,16-19H2,1-4H3
InChIKey
HFPRWGLZMRBTOP-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] fluoranthene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.26752 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.27480 227.0
[M+Na]+ 511.25674 229.5
[M-H]- 487.26024 233.4
[M+NH4]+ 506.30134 239.5
[M+K]+ 527.23068 226.8
[M+H-H2O]+ 471.26478 217.2
[M+HCOO]- 533.26572 245.7
[M+CH3COO]- 547.28137 255.3
[M+Na-2H]- 509.24219 225.3
[M]+ 488.26697 237.6
[M]- 488.26807 237.6
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.