CID 358198

98793-61-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCO

InChI

InChI=1S/C12H12N2O4/c15-7-6-12(8-4-2-1-3-5-8)9(16)13-11(18)14-10(12)17/h1-5,15H,6-7H2,(H2,13,14,16,17,18)

InChIKey

MBKHGECZFQWLRD-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 248.07971 Da
Monoisotopic Mass: 0.2
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]+	249.086986	154.9
[M+Na]+	271.068928	162.3
[M-H]-	247.072434	154.9
[M+NH4]+	266.113533	169.1
[M+K]+	287.042868	157.4
[M+H-H2O]+	231.076970	147.7
[M+HCOO]-	293.077911	169.8
[M+CH3COO]-	307.093561	184.2
[M+Na-2H]-	269.054376	158.9
[M]+	248.07916142	149.7
[M]-	248.08025858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe