CID 11459339

15057-40-6

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

CCOC(=O)CN(CC1=CC=CC=C1)CC(=O)C

InChI

InChI=1S/C14H19NO3/c1-3-18-14(17)11-15(9-12(2)16)10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3

InChIKey

WRMMDSOPPOKDKO-UHFFFAOYSA-N

Compound name

ethyl 2-[benzyl(2-oxopropyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 249.13649 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	250.14377	159.0
[M+Na]+	272.12571	163.5
[M-H]-	248.12921	163.2
[M+NH4]+	267.17031	176.1
[M+K]+	288.09965	163.1
[M+H-H2O]+	232.13375	151.6
[M+HCOO]-	294.13469	182.5
[M+CH3COO]-	308.15034	200.1
[M+Na-2H]-	270.11116	161.6
[M]+	249.13594	162.8
[M]-	249.13704	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe