CID 63463

39142-69-3

Structural Information

Molecular Formula
C20H15N3O
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C4=CN=CC=C4
InChI
InChI=1S/C20H15N3O/c1-14-7-2-5-11-18(14)23-19(15-8-6-12-21-13-15)22-17-10-4-3-9-16(17)20(23)24/h2-13H,1H3
InChIKey
JGFAUBQXUCHCNN-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-pyridin-3-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12152 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.128796 176.4
[M+Na]+ 336.110738 186.8
[M-H]- 312.114244 183.3
[M+NH4]+ 331.155343 187.3
[M+K]+ 352.084678 179.1
[M+H-H2O]+ 296.118780 164.3
[M+HCOO]- 358.119721 195.5
[M+CH3COO]- 372.135371 187.1
[M+Na-2H]- 334.096186 183.5
[M]+ 313.12097142 176.8
[M]- 313.12206858 176.8
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.