CID 63475

4(3h)-quinazolinone, 7-fluoro-2-methyl-3-phenyl-

Structural Information

Molecular Formula
C15H11FN2O
SMILES
CC1=NC2=C(C=CC(=C2)F)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C15H11FN2O/c1-10-17-14-9-11(16)7-8-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
ACRQPYAYRDGXRX-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.092816 155.5
[M+Na]+ 277.074758 167.2
[M-H]- 253.078264 160.0
[M+NH4]+ 272.119363 171.2
[M+K]+ 293.048698 161.2
[M+H-H2O]+ 237.082800 145.5
[M+HCOO]- 299.083741 175.9
[M+CH3COO]- 313.099391 168.1
[M+Na-2H]- 275.060206 162.6
[M]+ 254.08499142 155.8
[M]- 254.08608858 155.8
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.