CID 481517

2'-deoxy-4'-c-ethynyluridine

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C#C[C@]1([C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)CO
InChI
InChI=1S/C11H12N2O5/c1-2-11(6-14)7(15)5-9(18-11)13-4-3-8(16)12-10(13)17/h1,3-4,7,9,14-15H,5-6H2,(H,12,16,17)/t7-,9+,11+/m0/s1
InChIKey
YSDMTGIMELKARD-JVUFJMBOSA-N
Compound name
1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.07462 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 151.1
[M+Na]+ 275.06384 162.6
[M-H]- 251.06734 150.6
[M+NH4]+ 270.10844 164.1
[M+K]+ 291.03778 157.8
[M+H-H2O]+ 235.07188 138.5
[M+HCOO]- 297.07282 162.3
[M+CH3COO]- 311.08847 191.6
[M+Na-2H]- 273.04929 153.2
[M]+ 252.07407 144.7
[M]- 252.07517 144.7
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

No patent data available for this compound.