CID 3087381

Brn 5591260

Structural Information

Molecular Formula
C14H22NO5P
SMILES
CCOC(=O)C1=CC=C(C=C1)NCP(=O)(OCC)OCC
InChI
InChI=1S/C14H22NO5P/c1-4-18-14(16)12-7-9-13(10-8-12)15-11-21(17,19-5-2)20-6-3/h7-10,15H,4-6,11H2,1-3H3
InChIKey
DRGLGHROIXXODS-UHFFFAOYSA-N
Compound name
ethyl 4-(diethoxyphosphorylmethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12357 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13085 174.2
[M+Na]+ 338.11279 179.2
[M-H]- 314.11629 176.1
[M+NH4]+ 333.15739 188.9
[M+K]+ 354.08673 178.6
[M+H-H2O]+ 298.12083 164.7
[M+HCOO]- 360.12177 202.1
[M+CH3COO]- 374.13742 208.6
[M+Na-2H]- 336.09824 175.6
[M]+ 315.12302 181.4
[M]- 315.12412 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.