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]+ 279.112806 163.2
[M+Na]+ 301.094748 171.8
[M-H]- 277.098254 168.0
[M+NH4]+ 296.139353 177.0
[M+K]+ 317.068688 166.4
[M+H-H2O]+ 261.102790 153.3
[M+HCOO]- 323.103731 183.3
[M+CH3COO]- 337.119381 174.5
[M+Na-2H]- 299.080196 170.2
[M]+ 278.10498142 164.4
[M]- 278.10607858 164.4
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.