CID 46061

Ammonium, hexamethylenebis((beta-9,10-dihydroanthracen-9-ylethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C42H54N2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCC1C2=CC=CC=C2CC3=CC=CC=C13)CCC4C5=CC=CC=C5CC6=CC=CC=C46
InChI
InChI=1S/C42H54N2/c1-43(2,29-25-41-37-21-11-7-17-33(37)31-34-18-8-12-22-38(34)41)27-15-5-6-16-28-44(3,4)30-26-42-39-23-13-9-19-35(39)32-36-20-10-14-24-40(36)42/h7-14,17-24,41-42H,5-6,15-16,25-32H2,1-4H3/q+2
InChIKey
QUXMWLPVRYSXHF-UHFFFAOYSA-N
Compound name
2-(9,10-dihydroanthracen-9-yl)ethyl-[6-[2-(9,10-dihydroanthracen-9-yl)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.4287 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.43598 257.0
[M+Na]+ 609.41792 254.9
[M-H]- 585.42142 264.4
[M+NH4]+ 604.46252 262.6
[M+K]+ 625.39186 235.5
[M+H-H2O]+ 569.42596 246.7
[M+HCOO]- 631.42690 265.9
[M+CH3COO]- 645.44255 261.5
[M+Na-2H]- 607.40337 263.2
[M]+ 586.42815 254.8
[M]- 586.42925 254.8
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.