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 211.1
[M+Na]+ 431.36080 210.9
[M-H]- 407.36430 212.5
[M+NH4]+ 426.40540 229.3
[M+K]+ 447.33474 194.6
[M+H-H2O]+ 391.36884 209.0
[M+HCOO]- 453.36978 219.4
[M+CH3COO]- 467.38543 206.4
[M+Na-2H]- 429.34625 207.7
[M]+ 408.37103 204.2
[M]- 408.37213 204.2
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.