CID 3008897

Censavudine

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@](O2)(CO)C#C
InChI
InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1
InChIKey
OSYWBJSVKUFFSU-SKDRFNHKSA-N
Compound name
1-[(2R,5R)-5-ethynyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

2046
Patents

248.07971 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 149.8
[M+Na]+ 271.06893 161.7
[M+NH4]+ 266.11353 153.0
[M+K]+ 287.04287 154.6
[M-H]- 247.07243 142.9
[M+Na-2H]- 269.05438 152.4
[M]+ 248.07916 148.6
[M]- 248.08026 148.6
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