CID 3047145

1h-pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, (1r-cis)-

Structural Information

Molecular Formula
C26H50N2O2
SMILES
C1C[C@H]2[C@@H](CC[N+]2(C1)CCCCCCCCCC[N+]34CCC[C@H]3[C@@H](CC4)CO)CO
InChI
InChI=1S/C26H50N2O2/c29-21-23-13-19-27(17-9-11-25(23)27)15-7-5-3-1-2-4-6-8-16-28-18-10-12-26(28)24(22-30)14-20-28/h23-26,29-30H,1-22H2/q+2/t23-,24-,25-,26-,27?,28?/m0/s1
InChIKey
SDYQWERNUIKHGQ-JUZYZBBFSA-N
Compound name
[(1R,8S)-4-[10-[(1R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-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

422.38724 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.39452 207.1
[M+Na]+ 445.37646 213.4
[M+NH4]+ 440.42106 218.3
[M+K]+ 461.35040 210.6
[M-H]- 421.37996 210.3
[M+Na-2H]- 443.36191 208.0
[M]+ 422.38669 209.3
[M]- 422.38779 209.3
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.