CID 3049480

Glycine, n-(3-oxo-3-(4-propoxyphenyl)propyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCCOC1=CC=C(C=C1)C(=O)CCNCC(=O)OCC
InChI
InChI=1S/C16H23NO4/c1-3-11-21-14-7-5-13(6-8-14)15(18)9-10-17-12-16(19)20-4-2/h5-8,17H,3-4,9-12H2,1-2H3
InChIKey
VNNPLCFHTISJHS-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-oxo-3-(4-propoxyphenyl)propyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 170.5
[M+Na]+ 316.15194 179.6
[M+NH4]+ 311.19654 175.9
[M+K]+ 332.12588 174.0
[M-H]- 292.15544 170.9
[M+Na-2H]- 314.13739 174.0
[M]+ 293.16217 171.5
[M]- 293.16327 171.5
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.