CID 18283

Stavudine

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
InChIKey
XNKLLVCARDGLGL-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3284
References

48152
Patents

224.07971 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 145.3
[M+Na]+ 247.06893 155.7
[M-H]- 223.07243 148.6
[M+NH4]+ 242.11353 160.4
[M+K]+ 263.04287 153.0
[M+H-H2O]+ 207.07697 138.4
[M+HCOO]- 269.07791 165.0
[M+CH3COO]- 283.09356 182.3
[M+Na-2H]- 245.05438 148.9
[M]+ 224.07916 146.2
[M]- 224.08026 146.2
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