CID 3063851

Pyrrolidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1,2-dimethyl-, diiodide

Structural Information

Molecular Formula
C24H42N2O4
SMILES
CC1CCC[N+]1(C)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCCC3C)C)O)O
InChI
InChI=1S/C24H42N2O4/c1-19-8-6-12-25(19,3)15-21(27)17-29-23-10-5-11-24(14-23)30-18-22(28)16-26(4)13-7-9-20(26)2/h5,10-11,14,19-22,27-28H,6-9,12-13,15-18H2,1-4H3/q+2
InChIKey
ISJRULAEMGJOGO-UHFFFAOYSA-N
Compound name
1-(1,2-dimethylpyrrolidin-1-ium-1-yl)-3-[3-[3-(1,2-dimethylpyrrolidin-1-ium-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.31445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.32173 205.9
[M+Na]+ 445.30367 206.9
[M-H]- 421.30717 209.5
[M+NH4]+ 440.34827 218.5
[M+K]+ 461.27761 192.4
[M+H-H2O]+ 405.31171 203.3
[M+HCOO]- 467.31265 216.0
[M+CH3COO]- 481.32830 208.1
[M+Na-2H]- 443.28912 205.0
[M]+ 422.31390 201.7
[M]- 422.31500 201.7
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.