CID 5272743

Smfc

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O
InChI
InChI=1S/C10H14FN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,4,6-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t4-,6+,7-,9+/m0/s1
InChIKey
JNUWVIUFGREERU-WOPPDYDQSA-N
Compound name
4-amino-5-fluoro-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

259.09683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 155.8
[M+Na]+ 282.08605 165.7
[M-H]- 258.08955 157.4
[M+NH4]+ 277.13065 169.3
[M+K]+ 298.05999 162.9
[M+H-H2O]+ 242.09409 147.8
[M+HCOO]- 304.09503 173.0
[M+CH3COO]- 318.11068 193.6
[M+Na-2H]- 280.07150 155.7
[M]+ 259.09628 154.0
[M]- 259.09738 154.0
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

patents stripe