CID 3076693

3-dimethoxyphosphorylpropyl n-benzoylglycinate

Structural Information

Molecular Formula
C14H20NO6P
SMILES
COP(=O)(CCCOC(=O)CNC(=O)C1=CC=CC=C1)OC
InChI
InChI=1S/C14H20NO6P/c1-19-22(18,20-2)10-6-9-21-13(16)11-15-14(17)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,15,17)
InChIKey
IOYDNDHINATDSX-UHFFFAOYSA-N
Compound name
3-dimethoxyphosphorylpropyl 2-benzamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11008 175.4
[M+Na]+ 352.09202 179.3
[M-H]- 328.09552 177.0
[M+NH4]+ 347.13662 188.9
[M+K]+ 368.06596 179.3
[M+H-H2O]+ 312.10006 165.6
[M+HCOO]- 374.10100 202.7
[M+CH3COO]- 388.11665 208.7
[M+Na-2H]- 350.07747 176.5
[M]+ 329.10225 182.2
[M]- 329.10335 182.2
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.