CID 60723

(propylenebis(p-phenyleneoxyethylene))bis(trimethylammonium iodide)

Structural Information

Molecular Formula
C25H40N2O2
SMILES
C[N+](C)(C)CCOC1=CC=C(C=C1)CCCC2=CC=C(C=C2)OCC[N+](C)(C)C
InChI
InChI=1S/C25H40N2O2/c1-26(2,3)18-20-28-24-14-10-22(11-15-24)8-7-9-23-12-16-25(17-13-23)29-21-19-27(4,5)6/h10-17H,7-9,18-21H2,1-6H3/q+2
InChIKey
TVNROXMOCSXUBZ-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[3-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]propyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.309 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.31628 201.5
[M+Na]+ 423.29822 217.1
[M+NH4]+ 418.34282 211.0
[M+K]+ 439.27216 209.4
[M-H]- 399.30172 210.3
[M+Na-2H]- 421.28367 211.6
[M]+ 400.30845 207.3
[M]- 400.30955 207.3
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.