CID 71307775

Diethyl 2,2':6',2''-terpyridine-4'-phosphonate

Structural Information

Molecular Formula
C19H20N3O3P
SMILES
CCOP(=O)(C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3)OCC
InChI
InChI=1S/C19H20N3O3P/c1-3-24-26(23,25-4-2)15-13-18(16-9-5-7-11-20-16)22-19(14-15)17-10-6-8-12-21-17/h5-14H,3-4H2,1-2H3
InChIKey
MDIMWBGOUZAXEP-UHFFFAOYSA-N
Compound name
4-diethoxyphosphoryl-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

369.12424 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13152 190.2
[M+Na]+ 392.11346 196.6
[M-H]- 368.11696 194.3
[M+NH4]+ 387.15806 197.7
[M+K]+ 408.08740 192.0
[M+H-H2O]+ 352.12150 175.6
[M+HCOO]- 414.12244 213.5
[M+CH3COO]- 428.13809 216.0
[M+Na-2H]- 390.09891 192.9
[M]+ 369.12369 193.4
[M]- 369.12479 193.4
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