CID 5273625

Chembl223811

Structural Information

Molecular Formula
C11H14FN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CN=[N+]=[N-])F
InChI
InChI=1S/C11H14FN5O4/c1-5-3-17(11(20)15-9(5)19)10-8(12)6(2-14-16-13)7(4-18)21-10/h3,6-8,10,18H,2,4H2,1H3,(H,15,19,20)/t6-,7-,8-,10-/m1/s1
InChIKey
WORYJBRRZBUKMP-FDDDBJFASA-N
Compound name
1-[(2R,3R,4R,5S)-4-(azidomethyl)-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

299.103 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11028 163.9
[M+Na]+ 322.09222 172.5
[M-H]- 298.09572 168.5
[M+NH4]+ 317.13682 176.0
[M+K]+ 338.06616 164.5
[M+H-H2O]+ 282.10026 159.1
[M+HCOO]- 344.10120 187.2
[M+CH3COO]- 358.11685 200.6
[M+Na-2H]- 320.07767 169.2
[M]+ 299.10245 160.8
[M]- 299.10355 160.8
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.