CID 199522

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

Structural Information

Molecular Formula
C20H38N4O4
SMILES
CC(C(=O)N1CCN(CC1)C(=O)C(C)[N+]2(CCOCC2)C)[N+]3(CCOCC3)C
InChI
InChI=1S/C20H38N4O4/c1-17(23(3)9-13-27-14-10-23)19(25)21-5-7-22(8-6-21)20(26)18(2)24(4)11-15-28-16-12-24/h17-18H,5-16H2,1-4H3/q+2
InChIKey
FSOMOTOIDADYFU-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2893 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.29658 194.2
[M+Na]+ 421.27852 204.7
[M+NH4]+ 416.32312 202.8
[M+K]+ 437.25246 199.6
[M-H]- 397.28202 200.6
[M+Na-2H]- 419.26397 199.3
[M]+ 398.28875 198.0
[M]- 398.28985 198.0
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.