CID 148972

62554-12-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

CCCOC1=CC=C(C=C1)CN2CC(C(=O)NC2=O)C

InChI

InChI=1S/C15H20N2O3/c1-3-8-20-13-6-4-12(5-7-13)10-17-9-11(2)14(18)16-15(17)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,18,19)

InChIKey

FUOJSAGKFGAMRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.1474 Da
Monoisotopic Mass: 2.0
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	165.4
[M+Na]+	299.136618	172.2
[M-H]-	275.140124	167.6
[M+NH4]+	294.181223	178.3
[M+K]+	315.110558	167.9
[M+H-H2O]+	259.144660	156.7
[M+HCOO]-	321.145601	181.9
[M+CH3COO]-	335.161251	198.2
[M+Na-2H]-	297.122066	166.7
[M]+	276.14685142	164.2
[M]-	276.14794858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.