CID 515655

Bis[3-(dipropylamino)propyl] fluoranthene-3,9-dicarboxylate

Structural Information

Molecular Formula
C36H48N2O4
SMILES
CCCN(CCC)CCCOC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)OCCCN(CCC)CCC
InChI
InChI=1S/C36H48N2O4/c1-5-18-37(19-6-2)22-10-24-41-35(39)27-14-15-28-29-12-9-13-30-32(17-16-31(34(29)30)33(28)26-27)36(40)42-25-11-23-38(20-7-3)21-8-4/h9,12-17,26H,5-8,10-11,18-25H2,1-4H3
InChIKey
ZKWSAISSFPDUHI-UHFFFAOYSA-N
Compound name
bis[3-(dipropylamino)propyl] fluoranthene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

572.3614 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.36868 254.5
[M+Na]+ 595.35062 254.2
[M-H]- 571.35412 259.5
[M+NH4]+ 590.39522 263.3
[M+K]+ 611.32456 250.3
[M+H-H2O]+ 555.35866 243.5
[M+HCOO]- 617.35960 270.9
[M+CH3COO]- 631.37525 272.0
[M+Na-2H]- 593.33607 249.6
[M]+ 572.36085 266.8
[M]- 572.36195 266.8
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.