CID 150653

55383-99-8

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₃

SMILES

CCOC1=CC=C(C=C1)CN2CCC(=O)NC2=O

InChI

InChI=1S/C13H16N2O3/c1-2-18-11-5-3-10(4-6-11)9-15-8-7-12(16)14-13(15)17/h3-6H,2,7-9H2,1H3,(H,14,16,17)

InChIKey

AXXKQDRYWZMKRL-UHFFFAOYSA-N

Compound name

1-[(4-ethoxyphenyl)methyl]-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 248.11609 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]+	249.12337	157.5
[M+Na]+	271.10531	169.6
[M+NH4]+	266.14991	163.8
[M+K]+	287.07925	163.5
[M-H]-	247.10881	159.0
[M+Na-2H]-	269.09076	162.9
[M]+	248.11554	159.4
[M]-	248.11664	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe