CID 135417370

6-fluoropyrido[3,4-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C7H4FN3O
SMILES
C1=C2C(=CN=C1F)N=CNC2=O
InChI
InChI=1S/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)
InChIKey
IOGOUEZMTPFOKB-UHFFFAOYSA-N
Compound name
6-fluoro-3H-pyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

165.03384 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04112 129.3
[M+Na]+ 188.02306 140.9
[M-H]- 164.02656 127.8
[M+NH4]+ 183.06766 146.5
[M+K]+ 203.99700 136.5
[M+H-H2O]+ 148.03110 120.9
[M+HCOO]- 210.03204 148.2
[M+CH3COO]- 224.04769 142.3
[M+Na-2H]- 186.00851 139.3
[M]+ 165.03329 127.4
[M]- 165.03439 127.4
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