CID 3049490

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

Structural Information

Molecular Formula
C20H23NO4
SMILES
CCOC(=O)CNCC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H23NO4/c1-3-25-19(22)14-21-13-18(15-7-5-4-6-8-15)20(23)16-9-11-17(24-2)12-10-16/h4-12,18,21H,3,13-14H2,1-2H3
InChIKey
BFCUERUBAVVZAL-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-methoxyphenyl)-3-oxo-2-phenylpropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 182.6
[M+Na]+ 364.15194 185.9
[M-H]- 340.15544 188.3
[M+NH4]+ 359.19654 194.8
[M+K]+ 380.12588 183.4
[M+H-H2O]+ 324.15998 173.4
[M+HCOO]- 386.16092 204.1
[M+CH3COO]- 400.17657 214.5
[M+Na-2H]- 362.13739 183.5
[M]+ 341.16217 185.7
[M]- 341.16327 185.7
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.