CID 738365

3-(2-oxo-2-phenylethyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12N2O2/c19-15(12-6-2-1-3-7-12)10-18-11-17-14-9-5-4-8-13(14)16(18)20/h1-9,11H,10H2
InChIKey
TYEAFCPAPCNRES-UHFFFAOYSA-N
Compound name
3-phenacylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

264.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 158.6
[M+Na]+ 287.07909 167.6
[M-H]- 263.08259 163.6
[M+NH4]+ 282.12369 172.9
[M+K]+ 303.05303 162.4
[M+H-H2O]+ 247.08713 148.9
[M+HCOO]- 309.08807 179.0
[M+CH3COO]- 323.10372 170.4
[M+Na-2H]- 285.06454 166.2
[M]+ 264.08932 159.5
[M]- 264.09042 159.5
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

No patent data available for this compound.