CID 63195

4(3h)-quinazolinone, 2-methyl-3-(o-trifluoromethylphenyl)-

Structural Information

Molecular Formula
C16H11F3N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C16H11F3N2O/c1-10-20-13-8-4-2-6-11(13)15(22)21(10)14-9-5-3-7-12(14)16(17,18)19/h2-9H,1H3
InChIKey
GODYPCWCGPASKK-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

304.08234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08962 169.1
[M+Na]+ 327.07156 182.4
[M+NH4]+ 322.11616 174.8
[M+K]+ 343.04550 175.2
[M-H]- 303.07506 168.4
[M+Na-2H]- 325.05701 175.8
[M]+ 304.08179 170.8
[M]- 304.08289 170.8
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