CID 63238

38275-16-0

Structural Information

Molecular Formula
C19H13N3O
SMILES
C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=NC=C4
InChI
InChI=1S/C19H13N3O/c23-19-16-8-4-5-9-17(16)21-18(14-10-12-20-13-11-14)22(19)15-6-2-1-3-7-15/h1-13H
InChIKey
WARQQLYLLMDWSA-UHFFFAOYSA-N
Compound name
3-phenyl-2-pyridin-4-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11315 171.1
[M+Na]+ 322.09509 181.1
[M-H]- 298.09859 177.8
[M+NH4]+ 317.13969 182.3
[M+K]+ 338.06903 173.5
[M+H-H2O]+ 282.10313 159.1
[M+HCOO]- 344.10407 190.6
[M+CH3COO]- 358.11972 181.9
[M+Na-2H]- 320.08054 179.6
[M]+ 299.10532 170.8
[M]- 299.10642 170.8
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.