CID 148737

55383-98-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

COC1=CC=C(C=C1)CN2CCC(=O)NC2=O

InChI

InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)8-14-7-6-11(15)13-12(14)16/h2-5H,6-8H2,1H3,(H,13,15,16)

InChIKey

SHQBBDNJLPYSSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 234.10045 Da
Monoisotopic Mass: 0.5
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]+	235.10773	152.1
[M+Na]+	257.08967	159.2
[M-H]-	233.09317	154.4
[M+NH4]+	252.13427	166.3
[M+K]+	273.06361	155.6
[M+H-H2O]+	217.09771	143.6
[M+HCOO]-	279.09865	169.6
[M+CH3COO]-	293.11430	187.9
[M+Na-2H]-	255.07512	155.6
[M]+	234.09990	149.4
[M]-	234.10100	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe