CID 205917

19011-60-0

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14,16)

InChIKey

NYIHIUHCYVISJZ-UHFFFAOYSA-N

Compound name

5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.06914 Da
Monoisotopic Mass: 1.1
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]+	219.07642	146.2
[M+Na]+	241.05836	155.1
[M-H]-	217.06186	149.3
[M+NH4]+	236.10296	161.4
[M+K]+	257.03230	151.2
[M+H-H2O]+	201.06640	138.4
[M+HCOO]-	263.06734	164.3
[M+CH3COO]-	277.08299	185.4
[M+Na-2H]-	239.04381	149.6
[M]+	218.06859	142.9
[M]-	218.06969	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe