CID 11788

604-50-2

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CN1C2=CC=CC=C2C(=O)NC1=O

InChI

InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)

InChIKey

RWFOOMQYIRITHL-UHFFFAOYSA-N

Compound name

1-methylquinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 176.05858 Da
Monoisotopic Mass: 0.3
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]+	177.06586	133.6
[M+Na]+	199.04780	148.9
[M+NH4]+	194.09240	141.5
[M+K]+	215.02174	142.4
[M-H]-	175.05130	134.7
[M+Na-2H]-	197.03325	140.6
[M]+	176.05803	136.0
[M]-	176.05913	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe