CID 199464

Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylene))bis(1-ethyl, dibromide

Structural Information

Molecular Formula
C24H46N4O2
SMILES
CC[N+]1(CCCCC1)CCC(=O)N2CCN(CC2)C(=O)CC[N+]3(CCCCC3)CC
InChI
InChI=1S/C24H46N4O2/c1-3-27(17-7-5-8-18-27)21-11-23(29)25-13-15-26(16-14-25)24(30)12-22-28(4-2)19-9-6-10-20-28/h3-22H2,1-2H3/q+2
InChIKey
YVYVMKIYBCOKGM-UHFFFAOYSA-N
Compound name
3-(1-ethylpiperidin-1-ium-1-yl)-1-[4-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.3621 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.369376 209.7
[M+Na]+ 445.351318 206.0
[M-H]- 421.354824 209.9
[M+NH4]+ 440.395923 216.1
[M+K]+ 461.325258 191.5
[M+H-H2O]+ 405.359360 201.9
[M+HCOO]- 467.360301 211.3
[M+CH3COO]- 481.375951 211.5
[M+Na-2H]- 443.336766 209.8
[M]+ 422.36155142 196.2
[M]- 422.36264858 196.2
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.