CID 215099

Brn 0764774

Structural Information

Molecular Formula
C17H13F3N2O2
SMILES
CCN1C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H13F3N2O2/c1-2-21-15(23)13-8-3-4-9-14(13)22(16(21)24)12-7-5-6-11(10-12)17(18,19)20/h3-10H,2H2,1H3
InChIKey
WZCUPDSACNXKHX-UHFFFAOYSA-N
Compound name
3-ethyl-1-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09293 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10021 176.9
[M+Na]+ 357.08215 189.9
[M+NH4]+ 352.12675 181.6
[M+K]+ 373.05609 183.0
[M-H]- 333.08565 175.6
[M+Na-2H]- 355.06760 182.5
[M]+ 334.09238 178.3
[M]- 334.09348 178.3
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

No patent data available for this compound.