CID 191438

36256-93-6

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₃

SMILES

CC(=O)OCC(C1=CC=CC=C1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C17H18N2O3/c1-13(20)22-12-16(15-5-3-2-4-6-15)17(21)19-11-14-7-9-18-10-8-14/h2-10,16H,11-12H2,1H3,(H,19,21)

InChIKey

LKPVPUFUDFBNBZ-UHFFFAOYSA-N

Compound name

[3-oxo-2-phenyl-3-(pyridin-4-ylmethylamino)propyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 298.13174 Da
Monoisotopic Mass: 1.5
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]+	299.13902	170.1
[M+Na]+	321.12096	181.5
[M+NH4]+	316.16556	176.2
[M+K]+	337.09490	175.6
[M-H]-	297.12446	172.9
[M+Na-2H]-	319.10641	177.7
[M]+	298.13119	172.3
[M]-	298.13229	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe