CID 25112227

6-hydroxy-3-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C=NC2=C(C1=O)C=C(C=C2)O
InChI
InChI=1S/C9H8N2O2/c1-11-5-10-8-3-2-6(12)4-7(8)9(11)13/h2-5,12H,1H3
InChIKey
IAARRMOBNGVINM-UHFFFAOYSA-N
Compound name
6-hydroxy-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

176.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.5
[M+Na]+ 199.047798 145.1
[M-H]- 175.051304 135.1
[M+NH4]+ 194.092403 152.1
[M+K]+ 215.021738 141.5
[M+H-H2O]+ 159.055840 126.7
[M+HCOO]- 221.056781 154.5
[M+CH3COO]- 235.072431 178.3
[M+Na-2H]- 197.033246 142.4
[M]+ 176.05803142 134.8
[M]- 176.05912858 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe