CID 63781

4(3h)-quinazolinone, 3-(3-chlorophenyl)-6-fluoro-2-methyl-

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClFN2O/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKey
NWTSFEFFBTUKCP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-6-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.04657 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.053846 161.3
[M+Na]+ 311.035788 174.6
[M-H]- 287.039294 165.8
[M+NH4]+ 306.080393 176.7
[M+K]+ 327.009728 167.2
[M+H-H2O]+ 271.043830 151.8
[M+HCOO]- 333.044771 176.9
[M+CH3COO]- 347.060421 173.8
[M+Na-2H]- 309.021236 167.1
[M]+ 288.04602142 164.2
[M]- 288.04711858 164.2
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

patents stripe