CID 477015

Chembl127523

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CF
InChI
InChI=1S/C11H15FN2O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1
InChIKey
HCMQGCRWHVEZEP-IWSPIJDZSA-N
Compound name
1-[(2R,4S,5S)-4-(fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

258.1016 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 154.2
[M+Na]+ 281.09082 164.0
[M-H]- 257.09432 155.8
[M+NH4]+ 276.13542 168.0
[M+K]+ 297.06476 160.8
[M+H-H2O]+ 241.09886 146.3
[M+HCOO]- 303.09980 170.9
[M+CH3COO]- 317.11545 189.7
[M+Na-2H]- 279.07627 154.9
[M]+ 258.10105 153.3
[M]- 258.10215 153.3
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.