CID 475752

2-amino-5-(2-fluorophenyl)-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H8FN3O2
SMILES
C1=CC=C(C(=C1)C2=COC3=C2C(=O)NC(=N3)N)F
InChI
InChI=1S/C12H8FN3O2/c13-8-4-2-1-3-6(8)7-5-18-11-9(7)10(17)15-12(14)16-11/h1-5H,(H3,14,15,16,17)
InChIKey
NKTZBHLECYQARS-UHFFFAOYSA-N
Compound name
2-amino-5-(2-fluorophenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.06006 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06734 149.6
[M+Na]+ 268.04928 162.4
[M-H]- 244.05278 154.1
[M+NH4]+ 263.09388 165.2
[M+K]+ 284.02322 157.4
[M+H-H2O]+ 228.05732 141.1
[M+HCOO]- 290.05826 171.6
[M+CH3COO]- 304.07391 162.9
[M+Na-2H]- 266.03473 156.2
[M]+ 245.05951 150.0
[M]- 245.06061 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.