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 216.5
[M+Na]+ 493.30367 229.9
[M+NH4]+ 488.34827 223.6
[M+K]+ 509.27761 224.2
[M-H]- 469.30717 223.3
[M+Na-2H]- 491.28912 224.3
[M]+ 470.31390 221.1
[M]- 470.31500 221.1
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.