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 194.9
[M+Na]+ 421.27852 192.7
[M-H]- 397.28202 197.4
[M+NH4]+ 416.32312 199.6
[M+K]+ 437.25246 183.0
[M+H-H2O]+ 381.28656 188.8
[M+HCOO]- 443.28750 194.7
[M+CH3COO]- 457.30315 206.2
[M+Na-2H]- 419.26397 197.0
[M]+ 398.28875 183.1
[M]- 398.28985 183.1
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.