CID 990135

2,2'-((9-oxo-9h-fluorene-2,7-diyl)bis(oxy))bis(n,n-diethyl-n-methylethanaminium) diiodide

Structural Information

Molecular Formula
C27H40N2O3
SMILES
CC[N+](C)(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCC[N+](C)(CC)CC
InChI
InChI=1S/C27H40N2O3/c1-7-28(5,8-2)15-17-31-21-11-13-23-24-14-12-22(20-26(24)27(30)25(23)19-21)32-18-16-29(6,9-3)10-4/h11-14,19-20H,7-10,15-18H2,1-6H3/q+2
InChIKey
TYEZSLQHQJBOGW-UHFFFAOYSA-N
Compound name
2-[7-[2-[diethyl(methyl)azaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.3039 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.31118 208.1
[M+Na]+ 463.29312 222.4
[M+NH4]+ 458.33772 217.5
[M+K]+ 479.26706 216.9
[M-H]- 439.29662 214.8
[M+Na-2H]- 461.27857 213.9
[M]+ 440.30335 213.0
[M]- 440.30445 213.0
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.