CID 475754

2-amino-5-(2,6-difluorophenyl)-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H7F2N3O2
SMILES
C1=CC(=C(C(=C1)F)C2=COC3=C2C(=O)NC(=N3)N)F
InChI
InChI=1S/C12H7F2N3O2/c13-6-2-1-3-7(14)8(6)5-4-19-11-9(5)10(18)16-12(15)17-11/h1-4H,(H3,15,16,17,18)
InChIKey
CHAHBPYBCRBBKC-UHFFFAOYSA-N
Compound name
2-amino-5-(2,6-difluorophenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.05063 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05791 153.1
[M+Na]+ 286.03985 166.8
[M-H]- 262.04335 156.5
[M+NH4]+ 281.08445 168.1
[M+K]+ 302.01379 161.3
[M+H-H2O]+ 246.04789 143.7
[M+HCOO]- 308.04883 173.9
[M+CH3COO]- 322.06448 166.1
[M+Na-2H]- 284.02530 158.2
[M]+ 263.05008 152.9
[M]- 263.05118 152.9
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.