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]+ 180.05676 133.5
[M+Na]+ 202.03870 146.1
[M-H]- 178.04220 133.7
[M+NH4]+ 197.08330 151.2
[M+K]+ 218.01264 142.3
[M+H-H2O]+ 162.04674 124.8
[M+HCOO]- 224.04768 153.6
[M+CH3COO]- 238.06333 147.1
[M+Na-2H]- 200.02415 142.7
[M]+ 179.04893 134.2
[M]- 179.05003 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.