CID 3059888

77385-17-2

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂

SMILES

CN1C(=O)CCN(C1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN2O2/c1-13-10(15)6-7-14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3

InChIKey

OOAAGWMBSXRCET-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 238.0509 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]+	239.058176	149.7
[M+Na]+	261.040118	159.4
[M-H]-	237.043624	153.7
[M+NH4]+	256.084723	165.7
[M+K]+	277.014058	154.8
[M+H-H2O]+	221.048160	142.1
[M+HCOO]-	283.049101	164.2
[M+CH3COO]-	297.064751	190.2
[M+Na-2H]-	259.025566	153.0
[M]+	238.05035142	149.4
[M]-	238.05144858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe