CID 121232108

6-fluoro-3-methylpyrido[3,4-d]pyrimidin-4(3h)-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]+ 180.05676 134.4
[M+Na]+ 202.03870 149.4
[M+NH4]+ 197.08330 141.9
[M+K]+ 218.01264 142.9
[M-H]- 178.04220 134.3
[M+Na-2H]- 200.02415 141.4
[M]+ 179.04893 136.4
[M]- 179.05003 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.