CID 6435803

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

Structural Information

Molecular Formula
C24H36N2O2
SMILES
C[N+](C)(C)CCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCC[N+](C)(C)C
InChI
InChI=1S/C24H36N2O2/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/h7-16H,17-20H2,1-6H3/q+2/b8-7+
InChIKey
IPQVNLAJLIQBDD-BQYQJAHWSA-N
Compound name
trimethyl-[2-[4-[(E)-2-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27768 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 197.6
[M+Na]+ 407.26690 201.2
[M-H]- 383.27040 206.1
[M+NH4]+ 402.31150 209.8
[M+K]+ 423.24084 186.9
[M+H-H2O]+ 367.27494 193.8
[M+HCOO]- 429.27588 219.4
[M+CH3COO]- 443.29153 219.4
[M+Na-2H]- 405.25235 207.0
[M]+ 384.27713 200.6
[M]- 384.27823 200.6
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.