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
5
Annotation Hits

17
References

1683
Patents

248.07971 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 150.8
[M+Na]+ 271.068928 163.4
[M-H]- 247.072434 151.6
[M+NH4]+ 266.113533 164.6
[M+K]+ 287.042868 158.3
[M+H-H2O]+ 231.076970 137.7
[M+HCOO]- 293.077911 164.1
[M+CH3COO]- 307.093561 193.8
[M+Na-2H]- 269.054376 153.5
[M]+ 248.07916142 146.2
[M]- 248.08025858 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