CID 121262

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

Structural Information

Molecular Formula
C18H34N4O4
SMILES
C[N+]1(CCOCC1)CC(=O)N2CCN(CC2)C(=O)C[N+]3(CCOCC3)C
InChI
InChI=1S/C18H34N4O4/c1-21(7-11-25-12-8-21)15-17(23)19-3-5-20(6-4-19)18(24)16-22(2)9-13-26-14-10-22/h3-16H2,1-2H3/q+2
InChIKey
NPTZVMSNTANLIE-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.258 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.26528 189.1
[M+Na]+ 393.24722 188.2
[M-H]- 369.25072 191.8
[M+NH4]+ 388.29182 195.0
[M+K]+ 409.22116 177.8
[M+H-H2O]+ 353.25526 182.4
[M+HCOO]- 415.25620 191.4
[M+CH3COO]- 429.27185 199.0
[M+Na-2H]- 391.23267 193.9
[M]+ 370.25745 177.8
[M]- 370.25855 177.8
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.