CID 121232108

6-fluoro-3-methyl-3h,4h-pyrido[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C8H6FN3O
SMILES
CN1C=NC2=CN=C(C=C2C1=O)F
InChI
InChI=1S/C8H6FN3O/c1-12-4-11-6-3-10-7(9)2-5(6)8(12)13/h2-4H,1H3
InChIKey
SBMQGKFRLZDFPZ-UHFFFAOYSA-N
Compound name
6-fluoro-3-methylpyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04948 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.056756 133.5
[M+Na]+ 202.038698 146.1
[M-H]- 178.042204 133.7
[M+NH4]+ 197.083303 151.2
[M+K]+ 218.012638 142.3
[M+H-H2O]+ 162.046740 124.8
[M+HCOO]- 224.047681 153.6
[M+CH3COO]- 238.063331 147.1
[M+Na-2H]- 200.024146 142.7
[M]+ 179.04893142 134.2
[M]- 179.05002858 134.2
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

No patent data available for this compound.