CID 507022

2-fluoro-3-[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]prop-2-enenitrile

Structural Information

Molecular Formula
C12H12FN3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C=C(C#N)F)O
InChI
InChI=1S/C12H12FN3O4/c1-6-5-16(12(19)15-11(6)18)10-3-8(17)9(20-10)2-7(13)4-14/h2,5,8-10,17H,3H2,1H3,(H,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
GEHFNSWAELPKHT-IVZWLZJFSA-N
Compound name
2-fluoro-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.08118 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08846 157.4
[M+Na]+ 304.07040 168.0
[M-H]- 280.07390 157.6
[M+NH4]+ 299.11500 168.3
[M+K]+ 320.04434 164.0
[M+H-H2O]+ 264.07844 142.5
[M+HCOO]- 326.07938 169.9
[M+CH3COO]- 340.09503 204.6
[M+Na-2H]- 302.05585 156.6
[M]+ 281.08063 150.1
[M]- 281.08173 150.1
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.