CID 63368

4(3h)-quinazolinone, 3-(3-fluoro-2-methylphenyl)-2-methyl-

Structural Information

Molecular Formula
C16H13FN2O
SMILES
CC1=C(C=CC=C1F)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H13FN2O/c1-10-13(17)7-5-9-15(10)19-11(2)18-14-8-4-3-6-12(14)16(19)20/h3-9H,1-2H3
InChIKey
HUEMYHSWRGMTAM-UHFFFAOYSA-N
Compound name
3-(3-fluoro-2-methylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10848 161.5
[M+Na]+ 291.09042 178.9
[M+NH4]+ 286.13502 169.7
[M+K]+ 307.06436 169.9
[M-H]- 267.09392 165.0
[M+Na-2H]- 289.07587 170.5
[M]+ 268.10065 165.2
[M]- 268.10175 165.2
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.