CID 63270

73283-10-0

Structural Information

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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 187.0
[M+Na]+ 378.12130 196.2
[M-H]- 354.12480 193.7
[M+NH4]+ 373.16590 195.8
[M+K]+ 394.09524 188.7
[M+H-H2O]+ 338.12934 174.5
[M+HCOO]- 400.13028 204.7
[M+CH3COO]- 414.14593 196.5
[M+Na-2H]- 376.10675 192.0
[M]+ 355.13153 188.1
[M]- 355.13263 188.1
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