CID 3049492

N-(3-(4-ethoxyphenyl)-3-oxo-2-phenylpropyl)glycine ethyl ester hydrochloride

Structural Information

Molecular Formula
C21H25NO4
SMILES
CCOC1=CC=C(C=C1)C(=O)C(CNCC(=O)OCC)C2=CC=CC=C2
InChI
InChI=1S/C21H25NO4/c1-3-25-18-12-10-17(11-13-18)21(24)19(16-8-6-5-7-9-16)14-22-15-20(23)26-4-2/h5-13,19,22H,3-4,14-15H2,1-2H3
InChIKey
SOTWFLNCCLRWOX-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-ethoxyphenyl)-3-oxo-2-phenylpropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 186.8
[M+Na]+ 378.16756 197.4
[M+NH4]+ 373.21216 192.4
[M+K]+ 394.14150 191.0
[M-H]- 354.17106 189.7
[M+Na-2H]- 376.15301 193.0
[M]+ 355.17779 188.9
[M]- 355.17889 188.9
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.