CID 54684286

3-deazauridine

Structural Information

Molecular Formula
C10H13NO6
SMILES
C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2/t6-,8-,9-,10-/m1/s1
InChIKey
CBOKZNLSFMZJJA-PEBGCTIMSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

79
References

694
Patents

243.07428 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08156 149.0
[M+Na]+ 266.06350 157.7
[M-H]- 242.06700 150.9
[M+NH4]+ 261.10810 163.3
[M+K]+ 282.03744 155.5
[M+H-H2O]+ 226.07154 143.2
[M+HCOO]- 288.07248 165.6
[M+CH3COO]- 302.08813 182.1
[M+Na-2H]- 264.04895 150.5
[M]+ 243.07373 148.4
[M]- 243.07483 148.4
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