CID 344385

3-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)
InChIKey
LFGZKCYBINPOTA-UHFFFAOYSA-N
Compound name
3-methyl-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

176.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 132.6
[M+Na]+ 199.047798 144.5
[M-H]- 175.051304 134.3
[M+NH4]+ 194.092403 151.2
[M+K]+ 215.021738 140.3
[M+H-H2O]+ 159.055840 125.9
[M+HCOO]- 221.056781 153.8
[M+CH3COO]- 235.072431 177.6
[M+Na-2H]- 197.033246 141.6
[M]+ 176.05803142 133.2
[M]- 176.05912858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe