CID 46338

1,6-hexanediaminium, n,n'-bis(2-(9h-fluoren-9-yl)ethyl)-n,n,n',n'-tetramethyl-, dibromide

Structural Information

Molecular Formula
C40H50N2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C40H50N2/c1-41(2,29-25-39-35-21-11-7-17-31(35)32-18-8-12-22-36(32)39)27-15-5-6-16-28-42(3,4)30-26-40-37-23-13-9-19-33(37)34-20-10-14-24-38(34)40/h7-14,17-24,39-40H,5-6,15-16,25-30H2,1-4H3/q+2
InChIKey
HFSAIUPZUVVZCV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-yl)ethyl-[6-[2-(9H-fluoren-9-yl)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.3974 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.40468 253.3
[M+Na]+ 581.38662 254.3
[M-H]- 557.39012 263.4
[M+NH4]+ 576.43122 264.5
[M+K]+ 597.36056 235.0
[M+H-H2O]+ 541.39466 247.1
[M+HCOO]- 603.39560 267.9
[M+CH3COO]- 617.41125 255.0
[M+Na-2H]- 579.37207 257.2
[M]+ 558.39685 255.6
[M]- 558.39795 255.6
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.