CID 135484663

2-(3,4-dimethoxyphenyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2)OC
InChI
InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKey
QZYGERCWCIKOGH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

282.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.7
[M+Na]+ 305.08965 174.1
[M-H]- 281.09315 168.1
[M+NH4]+ 300.13425 177.4
[M+K]+ 321.06359 168.9
[M+H-H2O]+ 265.09769 154.4
[M+HCOO]- 327.09863 183.6
[M+CH3COO]- 341.11428 175.5
[M+Na-2H]- 303.07510 170.5
[M]+ 282.09988 166.4
[M]- 282.10098 166.4
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