CID 63473

Brn 0809271

Structural Information

Molecular Formula
C17H15FN2O
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=C(C=C3)C
InChI
InChI=1S/C17H15FN2O/c1-3-16-19-15-9-6-12(18)10-14(15)17(21)20(16)13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3
InChIKey
MYEDSTUUDKWEPX-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluoro-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11685 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12413 165.1
[M+Na]+ 305.10607 176.8
[M-H]- 281.10957 169.6
[M+NH4]+ 300.15067 179.9
[M+K]+ 321.08001 170.4
[M+H-H2O]+ 265.11411 154.8
[M+HCOO]- 327.11505 184.7
[M+CH3COO]- 341.13070 177.1
[M+Na-2H]- 303.09152 170.2
[M]+ 282.11630 166.4
[M]- 282.11740 166.4
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.