CID 63318

108664-70-6

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H16N2O2/c25-21(14-24-15-23-20-9-5-4-8-19(20)22(24)26)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,15H,14H2
InChIKey
CXECLFNOIIJXTR-UHFFFAOYSA-N
Compound name
3-[2-oxo-2-(4-phenylphenyl)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.128476 181.6
[M+Na]+ 363.110418 189.9
[M-H]- 339.113924 189.3
[M+NH4]+ 358.155023 192.1
[M+K]+ 379.084358 182.8
[M+H-H2O]+ 323.118460 169.7
[M+HCOO]- 385.119401 200.8
[M+CH3COO]- 399.135051 191.6
[M+Na-2H]- 361.095866 187.3
[M]+ 340.12065142 181.8
[M]- 340.12174858 181.8
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.