CID 64065

49579-12-6

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3Cl
InChI
InChI=1S/C15H10ClFN2O/c1-9-18-13-7-6-10(17)8-11(13)15(20)19(9)14-5-3-2-4-12(14)16/h2-8H,1H3
InChIKey
TYDLGASFRRAUKQ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-6-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

288.04657 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05385 161.3
[M+Na]+ 311.03579 174.6
[M-H]- 287.03929 165.8
[M+NH4]+ 306.08039 176.7
[M+K]+ 327.00973 167.2
[M+H-H2O]+ 271.04383 151.8
[M+HCOO]- 333.04477 176.9
[M+CH3COO]- 347.06042 173.8
[M+Na-2H]- 309.02124 167.1
[M]+ 288.04602 164.2
[M]- 288.04712 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