CID 515652

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

Structural Information

Molecular Formula
C28H32N2O4
SMILES
CN(C)CCCOC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)OCCCN(C)C
InChI
InChI=1S/C28H32N2O4/c1-29(2)14-6-16-33-27(31)19-10-11-20-21-8-5-9-22-24(28(32)34-17-7-15-30(3)4)13-12-23(26(21)22)25(20)18-19/h5,8-13,18H,6-7,14-17H2,1-4H3
InChIKey
XTTIZIFDLTVQOC-UHFFFAOYSA-N
Compound name
bis[3-(dimethylamino)propyl] fluoranthene-3,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.2362 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24348 217.6
[M+Na]+ 483.22542 221.1
[M-H]- 459.22892 224.5
[M+NH4]+ 478.27002 231.3
[M+K]+ 499.19936 218.8
[M+H-H2O]+ 443.23346 208.3
[M+HCOO]- 505.23440 237.1
[M+CH3COO]- 519.25005 249.7
[M+Na-2H]- 481.21087 217.1
[M]+ 460.23565 227.7
[M]- 460.23675 227.7
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.