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 203.3
[M+Na]+ 423.29822 206.0
[M-H]- 399.30172 211.5
[M+NH4]+ 418.34282 214.9
[M+K]+ 439.27216 192.1
[M+H-H2O]+ 383.30626 199.2
[M+HCOO]- 445.30720 224.6
[M+CH3COO]- 459.32285 224.1
[M+Na-2H]- 421.28367 212.1
[M]+ 400.30845 207.4
[M]- 400.30955 207.4
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.