CID 64068

73283-09-7

Structural Information

Molecular Formula
C22H17N3O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H17N3O2/c1-15-8-2-5-12-19(15)25-21(14-20(26)18-11-6-7-13-23-18)24-17-10-4-3-9-16(17)22(25)27/h2-13H,14H2,1H3
InChIKey
JBRHOOQOZOUZSE-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-(2-oxo-2-pyridin-2-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 185.2
[M+Na]+ 378.12130 203.9
[M+NH4]+ 373.16590 192.5
[M+K]+ 394.09524 194.4
[M-H]- 354.12480 191.2
[M+Na-2H]- 376.10675 196.4
[M]+ 355.13153 189.8
[M]- 355.13263 189.8
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