CID 121258

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

Structural Information

Molecular Formula
C20H38N4O4
SMILES
C[N+]1(CCOCC1)CCC(=O)N2CCN(CC2)C(=O)CC[N+]3(CCOCC3)C
InChI
InChI=1S/C20H38N4O4/c1-23(11-15-27-16-12-23)9-3-19(25)21-5-7-22(8-6-21)20(26)4-10-24(2)13-17-28-18-14-24/h3-18H2,1-2H3/q+2
InChIKey
RAUUVXVKQWEBEN-UHFFFAOYSA-N
Compound name
3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[3-(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

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.29658 197.6
[M+Na]+ 421.27852 195.7
[M-H]- 397.28202 199.8
[M+NH4]+ 416.32312 202.3
[M+K]+ 437.25246 184.9
[M+H-H2O]+ 381.28656 190.4
[M+HCOO]- 443.28750 199.2
[M+CH3COO]- 457.30315 204.7
[M+Na-2H]- 419.26397 201.3
[M]+ 398.28875 186.8
[M]- 398.28985 186.8
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.