CID 20833803

88655-21-4

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃

SMILES

CCCCOC1=CC=C(C=C1)CCN2CCC(=O)NC2=O

InChI

InChI=1S/C16H22N2O3/c1-2-3-12-21-14-6-4-13(5-7-14)8-10-18-11-9-15(19)17-16(18)20/h4-7H,2-3,8-12H2,1H3,(H,17,19,20)

InChIKey

ASBZNEBJXIMZPC-UHFFFAOYSA-N

Compound name

1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.16306 Da
Monoisotopic Mass: 2.2
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]+	291.170336	169.8
[M+Na]+	313.152278	175.1
[M-H]-	289.155784	171.4
[M+NH4]+	308.196883	181.7
[M+K]+	329.126218	170.6
[M+H-H2O]+	273.160320	160.5
[M+HCOO]-	335.161261	185.9
[M+CH3COO]-	349.176911	199.9
[M+Na-2H]-	311.137726	171.3
[M]+	290.16251142	168.5
[M]-	290.16360858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.