CID 18526

Isoindolium, 2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodide

Structural Information

Molecular Formula
C17H28N2O
SMILES
C[N+]1(CCOCC1)CCC[N+]2(CC3=CC=CC=C3C2)C
InChI
InChI=1S/C17H28N2O/c1-18(10-12-20-13-11-18)8-5-9-19(2)14-16-6-3-4-7-17(16)15-19/h3-4,6-7H,5,8-15H2,1-2H3/q+2
InChIKey
OXLKSERDTMWLBB-UHFFFAOYSA-N
Compound name
4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 164.9
[M+Na]+ 299.20937 180.8
[M+NH4]+ 294.25397 179.0
[M+K]+ 315.18331 171.8
[M-H]- 275.21287 173.2
[M+Na-2H]- 297.19482 174.8
[M]+ 276.21960 170.7
[M]- 276.22070 170.7
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.