CID 25267009

Cedazuridine

Structural Information

Molecular Formula
C9H14F2N2O5
SMILES
C1CN(C(=O)N[C@@H]1O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI
InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
InChIKey
VUDZSIYXZUYWSC-DBRKOABJSA-N
Compound name
(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

23
References

10890
Patents

268.08707 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09435 155.8
[M+Na]+ 291.07629 163.1
[M-H]- 267.07979 152.7
[M+NH4]+ 286.12089 169.4
[M+K]+ 307.05023 160.4
[M+H-H2O]+ 251.08433 148.7
[M+HCOO]- 313.08527 164.7
[M+CH3COO]- 327.10092 185.8
[M+Na-2H]- 289.06174 155.0
[M]+ 268.08652 147.8
[M]- 268.08762 147.8
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

patents stripe