CID 45726

Decamethylenebis(dimethyl-(9-fluorenyl)ammonium) dibromide ethanolate

Structural Information

Molecular Formula
C40H50N2
SMILES
C[N+](C)(CCCCCCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C40H50N2/c1-41(2,39-35-25-15-11-21-31(35)32-22-12-16-26-36(32)39)29-19-9-7-5-6-8-10-20-30-42(3,4)40-37-27-17-13-23-33(37)34-24-14-18-28-38(34)40/h11-18,21-28,39-40H,5-10,19-20,29-30H2,1-4H3/q+2
InChIKey
VUJLIXKIPPKERT-UHFFFAOYSA-N
Compound name
9H-fluoren-9-yl-[10-[9H-fluoren-9-yl(dimethyl)azaniumyl]decyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.3974 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.40468 244.3
[M+Na]+ 581.38662 261.2
[M+NH4]+ 576.43122 256.3
[M+K]+ 597.36056 252.4
[M-H]- 557.39012 255.9
[M+Na-2H]- 579.37207 252.1
[M]+ 558.39685 251.3
[M]- 558.39795 251.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.