CID 63156

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

Structural Information

Molecular Formula
C18H13F3N2O2
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C18H13F3N2O2/c1-11-6-2-5-9-14(11)23-16(10-15(24)18(19,20)21)22-13-8-4-3-7-12(13)17(23)25/h2-9H,10H2,1H3
InChIKey
FAZCOKZNHRQRLH-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-(3,3,3-trifluoro-2-oxopropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.09293 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe