CID 9816613

Schembl17378541

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)CF)O
InChI
InChI=1S/C10H14FN3O4/c11-4-10(5-15)6(16)3-8(18-10)14-2-1-7(12)13-9(14)17/h1-2,6,8,15-16H,3-5H2,(H2,12,13,17)/t6-,8+,10+/m0/s1
InChIKey
HKMPUTUIJPBZTJ-SKWCMTHISA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

259.09683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 153.0
[M+Na]+ 282.08605 162.1
[M-H]- 258.08955 154.2
[M+NH4]+ 277.13065 168.0
[M+K]+ 298.05999 159.7
[M+H-H2O]+ 242.09409 145.4
[M+HCOO]- 304.09503 170.4
[M+CH3COO]- 318.11068 190.4
[M+Na-2H]- 280.07150 156.0
[M]+ 259.09628 150.8
[M]- 259.09738 150.8
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.