CID 338258

27402-31-9

Structural Information

Molecular Formula

C₁₁H₇ClN₂O₃

SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)Cl

InChI

InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)

InChIKey

BGDCXSLVGJREMP-UHFFFAOYSA-N

Compound name

5-[(4-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5
Patents: 250.01453 Da
Monoisotopic Mass: 1.6
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]+	251.02181	152.1
[M+Na]+	273.00375	165.3
[M+NH4]+	268.04835	158.1
[M+K]+	288.97769	159.2
[M-H]-	249.00725	152.7
[M+Na-2H]-	270.98920	157.1
[M]+	250.01398	154.0
[M]-	250.01508	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe