CID 475740

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

Structural Information

Molecular Formula
C12H9FN4O4
SMILES
C1=CC=C(C(=C1)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-])F
InChI
InChI=1S/C12H9FN4O4/c13-6-4-2-1-3-5(6)7-8-9(18)15-12(14)16-10(8)21-11(7)17(19)20/h1-4,7,11H,(H3,14,15,16,18)
InChIKey
CEDYEGGSFPUDGD-UHFFFAOYSA-N
Compound name
2-amino-5-(2-fluorophenyl)-6-nitro-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.0608 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06808 158.7
[M+Na]+ 315.05002 167.7
[M-H]- 291.05352 162.7
[M+NH4]+ 310.09462 171.0
[M+K]+ 331.02396 159.7
[M+H-H2O]+ 275.05806 154.3
[M+HCOO]- 337.05900 178.6
[M+CH3COO]- 351.07465 194.7
[M+Na-2H]- 313.03547 165.3
[M]+ 292.06025 155.1
[M]- 292.06135 155.1
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.