CID 477016

Chembl2112590

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CF)O
InChI
InChI=1S/C11H15FN2O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7-,8+,10-/m1/s1
InChIKey
ZHALTLRSOULQAM-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5S)-4-(fluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0965 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 157.6
[M+Na]+ 297.08572 167.6
[M-H]- 273.08922 158.2
[M+NH4]+ 292.13032 170.2
[M+K]+ 313.05966 164.2
[M+H-H2O]+ 257.09376 150.0
[M+HCOO]- 319.09470 172.9
[M+CH3COO]- 333.11035 191.2
[M+Na-2H]- 295.07117 157.2
[M]+ 274.09595 156.7
[M]- 274.09705 156.7
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.