CID 63518

73283-30-4

Structural Information

Molecular Formula
C22H17N3O2
SMILES
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CN=CC=C4
InChI
InChI=1S/C22H17N3O2/c1-15-8-10-17(11-9-15)25-21(13-20(26)16-5-4-12-23-14-16)24-19-7-3-2-6-18(19)22(25)27/h2-12,14H,13H2,1H3
InChIKey
UVLJESLPMZWCJM-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-2-(2-oxo-2-pyridin-3-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.13208 Da
Monoisotopic Mass

3.2
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