CID 3063702

101496-69-9

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

C1CC(=O)N(C1=O)CCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C15H20N2O3/c16-12-4-6-13(7-5-12)20-11-3-1-2-10-17-14(18)8-9-15(17)19/h4-7H,1-3,8-11,16H2

InChIKey

UTFUQOFPYYXKAR-UHFFFAOYSA-N

Compound name

1-[5-(4-aminophenoxy)pentyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 276.1474 Da
Monoisotopic Mass: 1.2
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	163.9
[M+Na]+	299.136618	170.1
[M-H]-	275.140124	168.5
[M+NH4]+	294.181223	179.9
[M+K]+	315.110558	166.5
[M+H-H2O]+	259.144660	155.8
[M+HCOO]-	321.145601	186.0
[M+CH3COO]-	335.161251	200.6
[M+Na-2H]-	297.122066	164.4
[M]+	276.14685142	164.1
[M]-	276.14794858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe