CID 101217

1013-01-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)C

InChI

InChI=1S/C10H10N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3

InChIKey

DHSVUPZSHZKQDA-UHFFFAOYSA-N

Compound name

1,3-dimethylquinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 69
Patents: 190.07423 Da
Monoisotopic Mass: 0.8
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]+	191.08151	137.6
[M+Na]+	213.06345	153.6
[M+NH4]+	208.10805	145.7
[M+K]+	229.03739	146.8
[M-H]-	189.06695	139.2
[M+Na-2H]-	211.04890	144.7
[M]+	190.07368	140.4
[M]-	190.07478	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe