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]+ 179.061516 133.1
[M+Na]+ 201.043458 144.8
[M-H]- 177.046964 133.3
[M+NH4]+ 196.088063 151.6
[M+K]+ 217.017398 140.2
[M+H-H2O]+ 161.051500 125.5
[M+HCOO]- 223.052441 152.8
[M+CH3COO]- 237.068091 146.5
[M+Na-2H]- 199.028906 141.4
[M]+ 178.05369142 131.8
[M]- 178.05478858 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