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

1
Annotation Hits: 0
References: 6
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]+	239.05818	149.7
[M+Na]+	261.04012	164.5
[M+NH4]+	256.08472	157.6
[M+K]+	277.01406	157.4
[M-H]-	237.04362	152.4
[M+Na-2H]-	259.02557	156.7
[M]+	238.05035	152.8
[M]-	238.05145	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe