CID 125112

Rmi-9563

Structural Information

Molecular Formula
C32H40N2O4
SMILES
CCN(CC)CCCOC(=O)C1=CC2=C(C=C1)C3=C4C2=CC=CC4=C(C=C3)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C32H40N2O4/c1-5-33(6-2)18-10-20-37-31(35)23-14-15-24-27-16-17-28(32(36)38-21-11-19-34(7-3)8-4)25-12-9-13-26(30(25)27)29(24)22-23/h9,12-17,22H,5-8,10-11,18-21H2,1-4H3
InChIKey
HNZFVHXWPXLMKY-UHFFFAOYSA-N
Compound name
bis[3-(diethylamino)propyl] fluoranthene-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

516.2988 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.30608 236.3
[M+Na]+ 539.28802 237.9
[M-H]- 515.29152 242.2
[M+NH4]+ 534.33262 247.5
[M+K]+ 555.26196 234.8
[M+H-H2O]+ 499.29606 226.1
[M+HCOO]- 561.29700 254.2
[M+CH3COO]- 575.31265 260.9
[M+Na-2H]- 537.27347 233.5
[M]+ 516.29825 247.5
[M]- 516.29935 247.5
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.