CID 63634

Brn 4483150

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O2/c20-16(13-6-2-1-3-7-13)10-11-19-12-18-15-9-5-4-8-14(15)17(19)21/h1-9,12H,10-11H2
InChIKey
BUZYLMIVGMUYHH-UHFFFAOYSA-N
Compound name
3-(3-oxo-3-phenylpropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.1
[M+Na]+ 301.09475 179.5
[M+NH4]+ 296.13935 171.1
[M+K]+ 317.06869 171.0
[M-H]- 277.09825 167.1
[M+Na-2H]- 299.08020 172.7
[M]+ 278.10498 166.7
[M]- 278.10608 166.7
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

No patent data available for this compound.