CID 135486399

2-(3-methoxyphenyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C15H12N2O2
SMILES
COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKey
DUQSFLFKFAGWIS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

252.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.7
[M+Na]+ 275.07909 165.8
[M-H]- 251.08259 159.9
[M+NH4]+ 270.12369 170.4
[M+K]+ 291.05303 160.1
[M+H-H2O]+ 235.08713 146.6
[M+HCOO]- 297.08807 175.8
[M+CH3COO]- 311.10372 167.7
[M+Na-2H]- 273.06454 163.8
[M]+ 252.08932 156.2
[M]- 252.09042 156.2
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