CID 135465958

7-methoxy-4(3h)-quinazolinone

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC2=C(C=C1)C(=O)NC=N2
InChI
InChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChIKey
PPGWFCHOWMFNRI-UHFFFAOYSA-N
Compound name
7-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

176.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.4
[M+Na]+ 199.047798 144.0
[M-H]- 175.051304 134.6
[M+NH4]+ 194.092403 151.6
[M+K]+ 215.021738 140.5
[M+H-H2O]+ 159.055840 126.4
[M+HCOO]- 221.056781 154.4
[M+CH3COO]- 235.072431 177.1
[M+Na-2H]- 197.033246 143.1
[M]+ 176.05803142 134.3
[M]- 176.05912858 134.3
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