CID 42791

Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C28H42N2O4
SMILES
CCOCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCOCC
InChI
InChI=1S/C28H42N2O4/c1-7-33-19-17-29(3,4)27(31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-28(32)30(5,6)18-20-34-8-2/h9-16H,7-8,17-22H2,1-6H3/q+2
InChIKey
BQAREAAWOXVGID-UHFFFAOYSA-N
Compound name
2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.31445 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.32173 220.4
[M+Na]+ 493.30367 221.5
[M-H]- 469.30717 228.2
[M+NH4]+ 488.34827 228.6
[M+K]+ 509.27761 208.1
[M+H-H2O]+ 453.31171 215.8
[M+HCOO]- 515.31265 239.4
[M+CH3COO]- 529.32830 234.0
[M+Na-2H]- 491.28912 226.1
[M]+ 470.31390 225.2
[M]- 470.31500 225.2
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.