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]+ 423.36938 209.7
[M+Na]+ 445.35132 206.0
[M-H]- 421.35482 209.9
[M+NH4]+ 440.39592 216.1
[M+K]+ 461.32526 191.5
[M+H-H2O]+ 405.35936 201.9
[M+HCOO]- 467.36030 211.3
[M+CH3COO]- 481.37595 211.5
[M+Na-2H]- 443.33677 209.8
[M]+ 422.36155 196.2
[M]- 422.36265 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.