CID 63771

Brn 0620971

Structural Information

Molecular Formula
C20H15N3O
SMILES
CC1=CC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=NC=C4
InChI
InChI=1S/C20H15N3O/c1-14-5-4-6-16(13-14)23-19(15-9-11-21-12-10-15)22-18-8-3-2-7-17(18)20(23)24/h2-13H,1H3
InChIKey
OZAJZVFRGSIBJI-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)-2-pyridin-4-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]+ 314.12880 176.4
[M+Na]+ 336.11074 186.8
[M-H]- 312.11424 183.3
[M+NH4]+ 331.15534 187.3
[M+K]+ 352.08468 179.1
[M+H-H2O]+ 296.11878 164.3
[M+HCOO]- 358.11972 195.5
[M+CH3COO]- 372.13537 187.1
[M+Na-2H]- 334.09619 183.5
[M]+ 313.12097 176.8
[M]- 313.12207 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.