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

1
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

patents stripe