CID 515693

Ethanamine, 2,2'-[3,9-fluoranthenediylbis(oxy)]bis[n,n-diethyl-

Structural Information

Molecular Formula
C28H36N2O2
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OCCN(CC)CC
InChI
InChI=1S/C28H36N2O2/c1-5-29(6-2)16-18-31-21-12-13-22-23-10-9-11-25-27(32-19-17-30(7-3)8-4)15-14-24(28(23)25)26(22)20-21/h9-15,20H,5-8,16-19H2,1-4H3
InChIKey
MAMLMZOXODRDCC-UHFFFAOYSA-N
Compound name
2-[4-[2-(diethylamino)ethoxy]fluoranthen-8-yl]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.27768 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28496 213.6
[M+Na]+ 455.26690 217.6
[M-H]- 431.27040 220.3
[M+NH4]+ 450.31150 228.9
[M+K]+ 471.24084 213.5
[M+H-H2O]+ 415.27494 203.7
[M+HCOO]- 477.27588 234.5
[M+CH3COO]- 491.29153 246.4
[M+Na-2H]- 453.25235 214.6
[M]+ 432.27713 223.5
[M]- 432.27823 223.5
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.