CID 63245

Brn 0819574

Structural Information

Molecular Formula
C16H12F2N2O
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC(=CC=C3)F
InChI
InChI=1S/C16H12F2N2O/c1-2-15-19-14-7-6-11(18)9-13(14)16(21)20(15)12-5-3-4-10(17)8-12/h3-9H,2H2,1H3
InChIKey
MMBQZCAJHWMJKJ-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.09177 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09905 163.7
[M+Na]+ 309.08099 175.9
[M-H]- 285.08449 167.0
[M+NH4]+ 304.12559 178.3
[M+K]+ 325.05493 169.2
[M+H-H2O]+ 269.08903 152.6
[M+HCOO]- 331.08997 182.6
[M+CH3COO]- 345.10562 175.6
[M+Na-2H]- 307.06644 168.8
[M]+ 286.09122 163.7
[M]- 286.09232 163.7
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

patents stripe