CID 63114

Piriqualone

Structural Information

Molecular Formula
C22H17N3O
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=CC=N4
InChI
InChI=1S/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3
InChIKey
MYGZNGAHFWOCLI-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-(2-pyridin-2-ylethenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

53
Patents

339.13718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14446 183.0
[M+Na]+ 362.12640 202.6
[M+NH4]+ 357.17100 191.0
[M+K]+ 378.10034 191.7
[M-H]- 338.12990 189.6
[M+Na-2H]- 360.11185 194.9
[M]+ 339.13663 188.0
[M]- 339.13773 188.0
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