CID 9845451

Tetraethyl [2,2'-bipyridine]-4,4'-diylbis(phosphonate)

Structural Information

Molecular Formula
C18H26N2O6P2
SMILES
CCOP(=O)(C1=CC(=NC=C1)C2=NC=CC(=C2)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
InChIKey
BBFROMDCBUIPCU-UHFFFAOYSA-N
Compound name
4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

428.12662 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13390 203.5
[M+Na]+ 451.11584 208.2
[M-H]- 427.11934 204.7
[M+NH4]+ 446.16044 210.9
[M+K]+ 467.08978 207.3
[M+H-H2O]+ 411.12388 188.5
[M+HCOO]- 473.12482 231.5
[M+CH3COO]- 487.14047 227.4
[M+Na-2H]- 449.10129 203.8
[M]+ 428.12607 212.9
[M]- 428.12717 212.9
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

patents stripe