CID 207571

30204-48-9

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC(C1=CC=CC=C1)ON2CCC(=O)NC2=O

InChI

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

InChIKey

WDHMRVXXQNVPKL-UHFFFAOYSA-N

Compound name

1-(1-phenylethoxy)-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.10045 Da
Monoisotopic Mass: 1.0
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]+	235.107726	151.9
[M+Na]+	257.089668	157.8
[M-H]-	233.093174	154.0
[M+NH4]+	252.134273	165.8
[M+K]+	273.063608	154.8
[M+H-H2O]+	217.097710	143.4
[M+HCOO]-	279.098651	168.5
[M+CH3COO]-	293.114301	187.6
[M+Na-2H]-	255.075116	155.1
[M]+	234.09990142	148.2
[M]-	234.10099858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.