CID 63836

4(3h)-quinazolinone, 3-(4-methylphenyl)-2-(3,3,3-trifluoro-2-oxopropyl)-

Structural Information

Molecular Formula
C18H13F3N2O2
SMILES
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C18H13F3N2O2/c1-11-6-8-12(9-7-11)23-16(10-15(24)18(19,20)21)22-14-5-3-2-4-13(14)17(23)25/h2-9H,10H2,1H3
InChIKey
LXUDQXDWTCJOSZ-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-2-(3,3,3-trifluoro-2-oxopropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09293 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10021 179.3
[M+Na]+ 369.08215 191.4
[M+NH4]+ 364.12675 183.7
[M+K]+ 385.05609 185.0
[M-H]- 345.08565 177.7
[M+Na-2H]- 367.06760 184.7
[M]+ 346.09238 180.4
[M]- 346.09348 180.4
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.