CID 3010828

Wo-00179246

Structural Information

Molecular Formula
C10H15FN4O4
SMILES
CN([C@H]1[C@H](O[C@H]([C@H]1F)N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C10H15FN4O4/c1-14(18)8-5(4-16)19-9(7(8)11)15-3-2-6(12)13-10(15)17/h2-3,5,7-9,16,18H,4H2,1H3,(H2,12,13,17)/t5-,7+,8+,9-/m1/s1
InChIKey
SBKSFQPIARCGTC-RSWFSCQZSA-N
Compound name
4-amino-1-[(2R,3S,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-[hydroxy(methyl)amino]oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.10773 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11501 158.8
[M+Na]+ 297.09695 167.1
[M-H]- 273.10045 161.6
[M+NH4]+ 292.14155 171.7
[M+K]+ 313.07089 165.7
[M+H-H2O]+ 257.10499 150.0
[M+HCOO]- 319.10593 177.6
[M+CH3COO]- 333.12158 200.9
[M+Na-2H]- 295.08240 159.4
[M]+ 274.10718 157.1
[M]- 274.10828 157.1
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.