CID 3078282

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

Structural Information

Molecular Formula
C24H38N2O2
SMILES
C[N+](C)(C)CCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)OCC[N+](C)(C)C
InChI
InChI=1S/C24H38N2O2/c1-25(2,3)17-19-27-23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)28-20-18-26(4,5)6/h9-16H,7-8,17-20H2,1-6H3/q+2
InChIKey
PNGGHJYDYIRGKO-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[2-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]ethyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.29333 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.30061 198.6
[M+Na]+ 409.28255 201.8
[M-H]- 385.28605 207.0
[M+NH4]+ 404.32715 210.7
[M+K]+ 425.25649 188.1
[M+H-H2O]+ 369.29059 194.7
[M+HCOO]- 431.29153 220.2
[M+CH3COO]- 445.30718 221.2
[M+Na-2H]- 407.26800 207.9
[M]+ 386.29278 202.4
[M]- 386.29388 202.4
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.