CID 4793207

Oc-10x

Structural Information

Molecular Formula
C20H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C20H16N2O/c23-20-17-8-4-5-9-18(17)21-19(22-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,19,21H,(H,22,23)
InChIKey
XRUAOBKXCFNPCK-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

300.12625 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 171.4
[M+Na]+ 323.11547 178.1
[M-H]- 299.11897 176.0
[M+NH4]+ 318.16007 182.5
[M+K]+ 339.08941 169.5
[M+H-H2O]+ 283.12351 160.8
[M+HCOO]- 345.12445 186.4
[M+CH3COO]- 359.14010 180.4
[M+Na-2H]- 321.10092 176.7
[M]+ 300.12570 164.8
[M]- 300.12680 164.8
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