CID 135510669

135106-52-4

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC=CC2=C1C(=O)NC=N2
InChI
InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12)
InChIKey
SJIQXQRHUFZWTH-UHFFFAOYSA-N
Compound name
5-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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

literature stripe

Patent stripe

patents stripe