CID 5273626

Chembl434370

Structural Information

Molecular Formula
C11H16FN3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CN)F
InChI
InChI=1S/C11H16FN3O4/c1-5-3-15(11(18)14-9(5)17)10-8(12)6(2-13)7(4-16)19-10/h3,6-8,10,16H,2,4,13H2,1H3,(H,14,17,18)/t6-,7-,8-,10-/m1/s1
InChIKey
JTJJMYBRUYHDDL-FDDDBJFASA-N
Compound name
1-[(2R,3R,4R,5S)-4-(aminomethyl)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.1125 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11978 159.7
[M+Na]+ 296.10172 169.4
[M-H]- 272.10522 161.2
[M+NH4]+ 291.14632 172.5
[M+K]+ 312.07566 165.8
[M+H-H2O]+ 256.10976 151.6
[M+HCOO]- 318.11070 176.7
[M+CH3COO]- 332.12635 196.0
[M+Na-2H]- 294.08717 159.1
[M]+ 273.11195 157.5
[M]- 273.11305 157.5
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.