CID 3049478

Glycine, n-(3-(4-ethoxyphenyl)-3-oxopropyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCOC1=CC=C(C=C1)C(=O)CCNCC(=O)OCC
InChI
InChI=1S/C15H21NO4/c1-3-19-13-7-5-12(6-8-13)14(17)9-10-16-11-15(18)20-4-2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKey
BFQARHQCNQSIFN-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.9
[M+Na]+ 302.13628 170.6
[M-H]- 278.13978 168.7
[M+NH4]+ 297.18088 181.4
[M+K]+ 318.11022 169.1
[M+H-H2O]+ 262.14432 158.3
[M+HCOO]- 324.14526 188.7
[M+CH3COO]- 338.16091 202.9
[M+Na-2H]- 300.12173 168.0
[M]+ 279.14651 170.6
[M]- 279.14761 170.6
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.