CID 3074615

Ethyl 4-(((diethoxyphosphinyl)-3-pyridinylmethyl)amino)benzoate

Structural Information

Molecular Formula
C19H25N2O5P
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(OCC)OCC
InChI
InChI=1S/C19H25N2O5P/c1-4-24-19(22)15-9-11-17(12-10-15)21-18(16-8-7-13-20-14-16)27(23,25-5-2)26-6-3/h7-14,18,21H,4-6H2,1-3H3
InChIKey
KLXURWYNYXIAPD-UHFFFAOYSA-N
Compound name
ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.15012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15740 194.0
[M+Na]+ 415.13934 197.1
[M-H]- 391.14284 197.3
[M+NH4]+ 410.18394 203.3
[M+K]+ 431.11328 195.7
[M+H-H2O]+ 375.14738 181.7
[M+HCOO]- 437.14832 219.0
[M+CH3COO]- 451.16397 222.8
[M+Na-2H]- 413.12479 194.2
[M]+ 392.14957 199.6
[M]- 392.15067 199.6
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.