CID 45724

63957-46-0

Structural Information

Molecular Formula
C44H58N2
SMILES
CC[N+](CC)(CCCCCCCCCC[N+](CC)(CC)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C44H58N2/c1-5-45(6-2,43-39-29-19-15-25-35(39)36-26-16-20-30-40(36)43)33-23-13-11-9-10-12-14-24-34-46(7-3,8-4)44-41-31-21-17-27-37(41)38-28-18-22-32-42(38)44/h15-22,25-32,43-44H,5-14,23-24,33-34H2,1-4H3/q+2
InChIKey
LRZILZXNLOWOKZ-UHFFFAOYSA-N
Compound name
10-[diethyl(9H-fluoren-9-yl)azaniumyl]decyl-diethyl-(9H-fluoren-9-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

614.46 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.46728 271.3
[M+Na]+ 637.44922 270.3
[M-H]- 613.45272 280.3
[M+NH4]+ 632.49382 280.0
[M+K]+ 653.42316 250.3
[M+H-H2O]+ 597.45726 264.1
[M+HCOO]- 659.45820 284.3
[M+CH3COO]- 673.47385 265.7
[M+Na-2H]- 635.43467 273.0
[M]+ 614.45945 274.5
[M]- 614.46055 274.5
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.