CID 24769759

Azvudine

Structural Information

Molecular Formula
C9H11FN6O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)F
InChI
InChI=1S/C9H11FN6O4/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6-,7+,9+/m0/s1
InChIKey
KTOLOIKYVCHRJW-XZMZPDFPSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

953
Patents

286.08258 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.089856 153.9
[M+Na]+ 309.071798 162.2
[M-H]- 285.075304 158.2
[M+NH4]+ 304.116403 167.7
[M+K]+ 325.045738 155.4
[M+H-H2O]+ 269.079840 149.8
[M+HCOO]- 331.080781 178.2
[M+CH3COO]- 345.096431 198.1
[M+Na-2H]- 307.057246 162.5
[M]+ 286.08203142 149.3
[M]- 286.08312858 149.3
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

patents stripe