CID 3073816

2-dimethoxyphosphinylethyl n-benzoylglycinate

Structural Information

Molecular Formula
C13H18NO6P
SMILES
COP(=O)(CCOC(=O)CNC(=O)C1=CC=CC=C1)OC
InChI
InChI=1S/C13H18NO6P/c1-18-21(17,19-2)9-8-20-12(15)10-14-13(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16)
InChIKey
CQGCKOKVOFVMNK-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylethyl 2-benzamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0872 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09448 170.6
[M+Na]+ 338.07642 175.0
[M-H]- 314.07992 172.4
[M+NH4]+ 333.12102 184.8
[M+K]+ 354.05036 175.2
[M+H-H2O]+ 298.08446 161.0
[M+HCOO]- 360.08540 198.3
[M+CH3COO]- 374.10105 205.7
[M+Na-2H]- 336.06187 172.3
[M]+ 315.08665 177.1
[M]- 315.08775 177.1
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.