CID 135742256

7-fluoro-6-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H7FN2O
SMILES
CC1=CC2=C(C=C1F)N=CNC2=O
InChI
InChI=1S/C9H7FN2O/c1-5-2-6-8(3-7(5)10)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChIKey
GPUIJBWDORWOPA-UHFFFAOYSA-N
Compound name
7-fluoro-6-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.05424 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 133.1
[M+Na]+ 201.04346 144.8
[M-H]- 177.04696 133.3
[M+NH4]+ 196.08806 151.6
[M+K]+ 217.01740 140.2
[M+H-H2O]+ 161.05150 125.5
[M+HCOO]- 223.05244 152.8
[M+CH3COO]- 237.06809 146.5
[M+Na-2H]- 199.02891 141.4
[M]+ 178.05369 131.8
[M]- 178.05479 131.8
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

patents stripe