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

1
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

patents stripe