CID 2724140

57958-47-1

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCOC(=O)CCN(CCC1=CC=CC=C1)CCC(=O)OCC
InChI
InChI=1S/C18H27NO4/c1-3-22-17(20)11-14-19(15-12-18(21)23-4-2)13-10-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKey
NSGQKWOLICRDEV-UHFFFAOYSA-N
Compound name
ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-phenylethyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 179.0
[M+Na]+ 344.18322 187.5
[M+NH4]+ 339.22782 184.3
[M+K]+ 360.15716 181.8
[M-H]- 320.18672 179.6
[M+Na-2H]- 342.16867 182.6
[M]+ 321.19345 180.0
[M]- 321.19455 180.0
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