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]+ 395.363206 207.0
[M+Na]+ 417.345148 207.2
[M-H]- 393.348654 208.5
[M+NH4]+ 412.389753 225.8
[M+K]+ 433.319088 191.1
[M+H-H2O]+ 377.353190 205.0
[M+HCOO]- 439.354131 215.6
[M+CH3COO]- 453.369781 203.7
[M+Na-2H]- 415.330596 204.0
[M]+ 394.35538142 199.8
[M]- 394.35647858 199.8
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.