CID 4344696

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

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)F
InChI
InChI=1S/C15H10ClFN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKey
BTNAEOBYQDDYOZ-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2-fluorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05385 161.4
[M+Na]+ 311.03579 179.4
[M+NH4]+ 306.08039 170.0
[M+K]+ 327.00973 169.7
[M-H]- 287.03929 164.9
[M+Na-2H]- 309.02124 171.0
[M]+ 288.04602 165.4
[M]- 288.04712 165.4
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.