CID 3047086

Lindelofidinium, 4,4'-(1,9-nonamethylene)bis-, dibromide

Structural Information

Molecular Formula
C25H48N2O2
SMILES
C1C[C@@H]2[C@@H](CC[N+]2(C1)CCCCCCCCC[N+]34CCC[C@@H]3[C@@H](CC4)CO)CO
InChI
InChI=1S/C25H48N2O2/c28-20-22-12-18-26(16-8-10-24(22)26)14-6-4-2-1-3-5-7-15-27-17-9-11-25(27)23(21-29)13-19-27/h22-25,28-29H,1-21H2/q+2/t22-,23-,24+,25+,26?,27?/m0/s1
InChIKey
QQNGKBLLVCWZTP-CGUHHIJFSA-N
Compound name
[(1R,8R)-4-[9-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]nonyl]-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

408.37158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.37886 203.0
[M+Na]+ 431.36080 209.5
[M+NH4]+ 426.40540 214.3
[M+K]+ 447.33474 206.9
[M-H]- 407.36430 206.2
[M+Na-2H]- 429.34625 204.1
[M]+ 408.37103 205.2
[M]- 408.37213 205.2
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.