CID 69929

795-18-6

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCOC(=O)CCN(CC1=CC=CC=C1)CC(=O)OCC
InChI
InChI=1S/C16H23NO4/c1-3-20-15(18)10-11-17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
JWYHGTSTWMQTHS-UHFFFAOYSA-N
Compound name
ethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

293.16272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 171.4
[M+Na]+ 316.151938 175.0
[M-H]- 292.155444 175.2
[M+NH4]+ 311.196543 186.7
[M+K]+ 332.125878 174.7
[M+H-H2O]+ 276.159980 163.3
[M+HCOO]- 338.160921 194.4
[M+CH3COO]- 352.176571 207.4
[M+Na-2H]- 314.137386 172.9
[M]+ 293.16217142 177.2
[M]- 293.16326858 177.2
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

patents stripe