CID 17088

4(3h)-quinazolinone, 3-methyl-

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C9H8N2O/c1-11-6-10-8-5-3-2-4-7(8)9(11)12/h2-6H,1H3
InChIKey
FJVAQPINJBFBLI-UHFFFAOYSA-N
Compound name
3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

494
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.5
[M+Na]+ 183.052878 140.7
[M-H]- 159.056384 132.1
[M+NH4]+ 178.097483 149.2
[M+K]+ 199.026818 137.5
[M+H-H2O]+ 143.060920 122.4
[M+HCOO]- 205.061861 151.8
[M+CH3COO]- 219.077511 143.9
[M+Na-2H]- 181.038326 139.7
[M]+ 160.06311142 130.8
[M]- 160.06420858 130.8
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