CID 510999

Schembl12300537

Structural Information

Molecular Formula
C10H13F2N3O4
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)F)N)F
InChI
InChI=1S/C10H13F2N3O4/c11-5-1-15(10(18)14-8(5)13)9-7(12)4(2-16)6(3-17)19-9/h1,4,6-7,9,16-17H,2-3H2,(H2,13,14,18)/t4-,6-,7+,9-/m1/s1
InChIKey
OXPINHBRBFTNDV-AIKLKQDHSA-N
Compound name
4-amino-5-fluoro-1-[(2R,3S,4R,5S)-3-fluoro-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

277.0874 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09468 158.1
[M+Na]+ 300.07662 168.1
[M-H]- 276.08012 158.4
[M+NH4]+ 295.12122 170.8
[M+K]+ 316.05056 164.8
[M+H-H2O]+ 260.08466 149.2
[M+HCOO]- 322.08560 174.3
[M+CH3COO]- 336.10125 196.3
[M+Na-2H]- 298.06207 157.5
[M]+ 277.08685 155.2
[M]- 277.08795 155.2
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

No patent data available for this compound.