CID 63786

4(3h)-quinazolinone, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C17H12F4N2O
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H12F4N2O/c1-2-15-22-14-7-6-11(18)9-13(14)16(24)23(15)12-5-3-4-10(8-12)17(19,20)21/h3-9H,2H2,1H3
InChIKey
POAWZLDHMMBGRL-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09584 176.6
[M+Na]+ 359.07778 188.8
[M-H]- 335.08128 177.2
[M+NH4]+ 354.12238 189.0
[M+K]+ 375.05172 181.4
[M+H-H2O]+ 319.08582 163.8
[M+HCOO]- 381.08676 191.1
[M+CH3COO]- 395.10241 211.7
[M+Na-2H]- 357.06323 180.4
[M]+ 336.08801 173.9
[M]- 336.08911 173.9
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.