CID 65161

2',3'-dideoxyuridine

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1
InChIKey
BTOTXLJHDSNXMW-POYBYMJQSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

33957
Patents

212.07971 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 142.3
[M+Na]+ 235.068928 151.2
[M-H]- 211.072434 144.9
[M+NH4]+ 230.113533 157.5
[M+K]+ 251.042868 148.9
[M+H-H2O]+ 195.076970 135.2
[M+HCOO]- 257.077911 160.8
[M+CH3COO]- 271.093561 178.4
[M+Na-2H]- 233.054376 146.1
[M]+ 212.07916142 141.0
[M]- 212.08025858 141.0
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