CID 6912342

Ethyl 4-(((hydroxyphosphinyl)-3-pyridinylmethyl)amino)benzoate monosodium salt

Structural Information

Molecular Formula
C15H15N2O4P
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)[P+](=O)[O-]
InChI
InChI=1S/C15H15N2O4P/c1-2-21-15(18)11-5-7-13(8-6-11)17-14(22(19)20)12-4-3-9-16-10-12/h3-10,14,17H,2H2,1H3
InChIKey
JEKIOMFANFYZRC-UHFFFAOYSA-N
Compound name
[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]-oxido-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08421 171.6
[M+Na]+ 341.06615 175.3
[M-H]- 317.06965 174.2
[M+NH4]+ 336.11075 182.8
[M+K]+ 357.04009 168.2
[M+H-H2O]+ 301.07419 165.1
[M+HCOO]- 363.07513 197.5
[M+CH3COO]- 377.09078 198.3
[M+Na-2H]- 339.05160 173.8
[M]+ 318.07638 170.5
[M]- 318.07748 170.5
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.