CID 121177

Piperidinium, 1,1'-(1,4-piperazinediylbis(1-oxopropylene))bis(1-methyl-, diiodide

Structural Information

Molecular Formula
C22H42N4O2
SMILES
C[N+]1(CCCCC1)CCC(=O)N2CCN(CC2)C(=O)CC[N+]3(CCCCC3)C
InChI
InChI=1S/C22H42N4O2/c1-25(15-5-3-6-16-25)19-9-21(27)23-11-13-24(14-12-23)22(28)10-20-26(2)17-7-4-8-18-26/h3-20H2,1-2H3/q+2
InChIKey
INFHJNAPJIZFKS-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-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

394.33078 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33806 201.5
[M+Na]+ 417.32000 198.8
[M-H]- 393.32350 202.2
[M+NH4]+ 412.36460 209.1
[M+K]+ 433.29394 184.6
[M+H-H2O]+ 377.32804 194.1
[M+HCOO]- 439.32898 203.9
[M+CH3COO]- 453.34463 205.8
[M+Na-2H]- 415.30545 202.7
[M]+ 394.33023 187.5
[M]- 394.33133 187.5
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.