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]+ 255.09282 155.5
[M+Na]+ 277.07476 167.2
[M-H]- 253.07826 160.0
[M+NH4]+ 272.11936 171.2
[M+K]+ 293.04870 161.2
[M+H-H2O]+ 237.08280 145.5
[M+HCOO]- 299.08374 175.9
[M+CH3COO]- 313.09939 168.1
[M+Na-2H]- 275.06021 162.6
[M]+ 254.08499 155.8
[M]- 254.08609 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.