CID 3045017

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

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCOC(=O)CNCCC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C14H19NO4/c1-3-19-14(17)10-15-9-8-13(16)11-4-6-12(18-2)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKey
FCNRTHIPAIBCGA-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-(4-methoxyphenyl)-3-oxopropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 161.3
[M+Na]+ 288.120618 166.4
[M-H]- 264.124124 164.3
[M+NH4]+ 283.165223 177.3
[M+K]+ 304.094558 165.2
[M+H-H2O]+ 248.128660 153.9
[M+HCOO]- 310.129601 184.5
[M+CH3COO]- 324.145251 199.9
[M+Na-2H]- 286.106066 163.9
[M]+ 265.13085142 165.6
[M]- 265.13194858 165.6
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.