CID 3063853

Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-methyl-, diiodide

Structural Information

Molecular Formula
C24H42N2O4
SMILES
C[N+]1(CCCCC1)CC(COC2=CC(=CC=C2)OCC(C[N+]3(CCCCC3)C)O)O
InChI
InChI=1S/C24H42N2O4/c1-25(12-5-3-6-13-25)17-21(27)19-29-23-10-9-11-24(16-23)30-20-22(28)18-26(2)14-7-4-8-15-26/h9-11,16,21-22,27-28H,3-8,12-15,17-20H2,1-2H3/q+2
InChIKey
XYNZTINXFKRMQM-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenoxy]-3-(1-methylpiperidin-1-ium-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.31445 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.32173 208.7
[M+Na]+ 445.30367 206.2
[M-H]- 421.30717 210.1
[M+NH4]+ 440.34827 216.6
[M+K]+ 461.27761 191.7
[M+H-H2O]+ 405.31171 203.4
[M+HCOO]- 467.31265 214.2
[M+CH3COO]- 481.32830 207.0
[M+Na-2H]- 443.28912 211.0
[M]+ 422.31390 199.4
[M]- 422.31500 199.4
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.