CID 505545

Tert-butyl 2,4-dioxo-4-[n-(2-phenoxyethyl)anilino]butanoate

Structural Information

Molecular Formula

C₂₂H₂₅NO₅

SMILES

CC(C)(C)OC(=O)C(=O)CC(=O)N(CCOC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)19(24)16-20(25)23(17-10-6-4-7-11-17)14-15-27-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3

InChIKey

LAZHHEJEAFXIIW-UHFFFAOYSA-N

Compound name

tert-butyl 2,4-dioxo-4-[N-(2-phenoxyethyl)anilino]butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.17328 Da
Monoisotopic Mass: 3.8
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]+	384.180556	192.3
[M+Na]+	406.162498	194.7
[M-H]-	382.166004	199.1
[M+NH4]+	401.207103	203.2
[M+K]+	422.136438	193.9
[M+H-H2O]+	366.170540	183.1
[M+HCOO]-	428.171481	212.5
[M+CH3COO]-	442.187131	222.8
[M+Na-2H]-	404.147946	193.5
[M]+	383.17273142	197.1
[M]-	383.17382858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.