CID 3024742

Crl 41236

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N2CCOCC2

InChI

InChI=1S/C15H20N2O3/c1-11(17-7-9-20-10-8-17)15(19)13-3-5-14(6-4-13)16-12(2)18/h3-6,11H,7-10H2,1-2H3,(H,16,18)

InChIKey

YZRWRUMCCWDMEN-UHFFFAOYSA-N

Compound name

N-[4-(2-morpholin-4-ylpropanoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 276.1474 Da
Monoisotopic Mass: 0.9
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]+	277.154676	165.6
[M+Na]+	299.136618	168.5
[M-H]-	275.140124	170.4
[M+NH4]+	294.181223	177.8
[M+K]+	315.110558	167.7
[M+H-H2O]+	259.144660	156.9
[M+HCOO]-	321.145601	182.1
[M+CH3COO]-	335.161251	201.5
[M+Na-2H]-	297.122066	167.1
[M]+	276.14685142	162.5
[M]-	276.14794858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe