CID 5157400

3-(2-fluorobenzyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C15H11FN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=CC=CC=C3C2=O)F
InChI
InChI=1S/C15H11FN2O/c16-13-7-3-1-5-11(13)9-18-10-17-14-8-4-2-6-12(14)15(18)19/h1-8,10H,9H2
InChIKey
KOQXBNPNOBNYTG-UHFFFAOYSA-N
Compound name
3-[(2-fluorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09282 156.2
[M+Na]+ 277.07476 173.1
[M+NH4]+ 272.11936 164.6
[M+K]+ 293.04870 164.0
[M-H]- 253.07826 159.6
[M+Na-2H]- 275.06021 166.0
[M]+ 254.08499 159.7
[M]- 254.08609 159.7
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

No patent data available for this compound.