CID 460919

Chembl431423

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₃

SMILES

CCC1=C(N(C(=O)NC1=O)CCOC)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-3-13-14(11-12-7-5-4-6-8-12)18(9-10-21-2)16(20)17-15(13)19/h4-8H,3,9-11H2,1-2H3,(H,17,19,20)

InChIKey

MKUBGFWKKXIGLC-UHFFFAOYSA-N

Compound name

6-benzyl-5-ethyl-1-(2-methoxyethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 288.1474 Da
Monoisotopic Mass: 1.8
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]+	289.154676	166.5
[M+Na]+	311.136618	175.9
[M-H]-	287.140124	169.7
[M+NH4]+	306.181223	179.2
[M+K]+	327.110558	170.7
[M+H-H2O]+	271.144660	157.4
[M+HCOO]-	333.145601	186.9
[M+CH3COO]-	347.161251	200.2
[M+Na-2H]-	309.122066	170.1
[M]+	288.14685142	169.8
[M]-	288.14794858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.