CID 74800

1983-34-2

Structural Information

Molecular Formula

C₁₁H₉ClN₂O₃

SMILES

CN1C(=O)CC(=O)N(C1=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H9ClN2O3/c1-13-9(15)6-10(16)14(11(13)17)8-4-2-3-7(12)5-8/h2-5H,6H2,1H3

InChIKey

PWXIOTZPLWVFNU-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-methyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 252.03017 Da
Monoisotopic Mass: 1.4
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]+	253.037446	150.8
[M+Na]+	275.019388	161.7
[M-H]-	251.022894	155.4
[M+NH4]+	270.063993	166.5
[M+K]+	290.993328	157.1
[M+H-H2O]+	235.027430	143.5
[M+HCOO]-	297.028371	165.7
[M+CH3COO]-	311.044021	192.8
[M+Na-2H]-	273.004836	153.6
[M]+	252.02962142	151.8
[M]-	252.03071858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe