CID 515661

Bis[4-(diethylamino)butyl] fluoranthene-3,9-dicarboxylate

Structural Information

Molecular Formula
C34H44N2O4
SMILES
CCN(CC)CCCCOC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)OCCCCN(CC)CC
InChI
InChI=1S/C34H44N2O4/c1-5-35(6-2)20-9-11-22-39-33(37)25-16-17-26-27-14-13-15-28-30(19-18-29(32(27)28)31(26)24-25)34(38)40-23-12-10-21-36(7-3)8-4/h13-19,24H,5-12,20-23H2,1-4H3
InChIKey
TUYRVXVZSWMWID-UHFFFAOYSA-N
Compound name
bis[4-(diethylamino)butyl] fluoranthene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.3301 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.33738 245.5
[M+Na]+ 567.31932 246.1
[M-H]- 543.32282 250.9
[M+NH4]+ 562.36392 255.4
[M+K]+ 583.29326 242.6
[M+H-H2O]+ 527.32736 234.8
[M+HCOO]- 589.32830 262.6
[M+CH3COO]- 603.34395 266.5
[M+Na-2H]- 565.30477 241.6
[M]+ 544.32955 257.2
[M]- 544.33065 257.2
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.