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 207.0
[M+Na]+ 417.34515 207.2
[M-H]- 393.34865 208.5
[M+NH4]+ 412.38975 225.8
[M+K]+ 433.31909 191.1
[M+H-H2O]+ 377.35319 205.0
[M+HCOO]- 439.35413 215.6
[M+CH3COO]- 453.36978 203.7
[M+Na-2H]- 415.33060 204.0
[M]+ 394.35538 199.8
[M]- 394.35648 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.