CID 3047084

Lindelofidinium, 4,4'-(1,8-octamethylene)bis-, dibromide

Structural Information

Molecular Formula
C24H46N2O2
SMILES
C1C[C@@H]2[C@@H](CC[N+]2(C1)CCCCCCCC[N+]34CCC[C@@H]3[C@@H](CC4)CO)CO
InChI
InChI=1S/C24H46N2O2/c27-19-21-11-17-25(15-7-9-23(21)25)13-5-3-1-2-4-6-14-26-16-8-10-24(26)22(20-28)12-18-26/h21-24,27-28H,1-20H2/q+2/t21-,22-,23+,24+,25?,26?/m0/s1
InChIKey
FVPIQKMWAZUYST-HKRPDGMWSA-N
Compound name
[(1R,8R)-4-[8-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]octyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.35593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.36321 198.8
[M+Na]+ 417.34515 205.5
[M+NH4]+ 412.38975 210.4
[M+K]+ 433.31909 203.1
[M-H]- 393.34865 202.0
[M+Na-2H]- 415.33060 200.2
[M]+ 394.35538 201.1
[M]- 394.35648 201.1
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.