CID 14555916

75524-08-2

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CCC1(C(=O)NC(NC1=O)O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7,11,17H,2H2,1H3,(H,13,15)(H,14,16)

InChIKey

PVKBVMQSXIHKOT-UHFFFAOYSA-N

Compound name

5-ethyl-2-hydroxy-5-phenyl-1,3-diazinane-4,6-dione

Related CIDs

2D Structure

compound 2d structure

2
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	153.4
[M+Na]+	257.089668	160.7
[M-H]-	233.093174	153.5
[M+NH4]+	252.134273	168.4
[M+K]+	273.063608	155.8
[M+H-H2O]+	217.097710	146.4
[M+HCOO]-	279.098651	168.0
[M+CH3COO]-	293.114301	182.7
[M+Na-2H]-	255.075116	157.2
[M]+	234.09990142	147.5
[M]-	234.10099858	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.