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]+ 280.154336 165.9
[M+Na]+ 302.136278 170.6
[M-H]- 278.139784 168.7
[M+NH4]+ 297.180883 181.4
[M+K]+ 318.110218 169.1
[M+H-H2O]+ 262.144320 158.3
[M+HCOO]- 324.145261 188.7
[M+CH3COO]- 338.160911 202.9
[M+Na-2H]- 300.121726 168.0
[M]+ 279.14651142 170.6
[M]- 279.14760858 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.