CID 10778286

4'-c-ethynyluridine

Structural Information

Molecular Formula
C11H12N2O6
SMILES
C#C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)CO
InChI
InChI=1S/C11H12N2O6/c1-2-11(5-14)8(17)7(16)9(19-11)13-4-3-6(15)12-10(13)18/h1,3-4,7-9,14,16-17H,5H2,(H,12,15,18)/t7-,8+,9-,11-/m1/s1
InChIKey
WRJWRPFBIXAXCQ-PKIKSRDPSA-N
Compound name
1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

724
Patents

268.06955 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07683 154.5
[M+Na]+ 291.05877 166.0
[M-H]- 267.06227 153.2
[M+NH4]+ 286.10337 166.4
[M+K]+ 307.03271 161.4
[M+H-H2O]+ 251.06681 142.3
[M+HCOO]- 313.06775 164.5
[M+CH3COO]- 327.08340 193.0
[M+Na-2H]- 289.04422 155.7
[M]+ 268.06900 148.2
[M]- 268.07010 148.2
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