CID 451585

2'-f-azu

Structural Information

Molecular Formula
C9H10FN5O4
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,16H,3H2,(H,12,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
XESVLAZXDQFIGF-XVFCMESISA-N
Compound name
1-[(2R,3R,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0717 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07898 153.9
[M+Na]+ 294.06092 162.4
[M-H]- 270.06442 158.4
[M+NH4]+ 289.10552 166.8
[M+K]+ 310.03486 154.9
[M+H-H2O]+ 254.06896 149.2
[M+HCOO]- 316.06990 177.9
[M+CH3COO]- 330.08555 193.2
[M+Na-2H]- 292.04637 160.9
[M]+ 271.07115 149.7
[M]- 271.07225 149.7
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.