CID 9845451

174397-53-6

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 198.0
[M+Na]+ 451.11584 207.8
[M+NH4]+ 446.16044 200.6
[M+K]+ 467.08978 204.2
[M-H]- 427.11934 196.9
[M+Na-2H]- 449.10129 202.6
[M]+ 428.12607 198.7
[M]- 428.12717 198.7
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