CID 3000824

2,4(1h,3h)-pyridinedione, 1-beta-d-ribofuranosyl-

Structural Information

Molecular Formula
C10H13NO6
SMILES
C1C(=O)C=CN(C1=O)[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/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1
InChIKey
WIRVQQCUKDPURA-PEBGCTIMSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

33
Patents

243.07428 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08156 150.0
[M+Na]+ 266.06350 157.4
[M-H]- 242.06700 152.4
[M+NH4]+ 261.10810 164.7
[M+K]+ 282.03744 155.8
[M+H-H2O]+ 226.07154 144.2
[M+HCOO]- 288.07248 165.3
[M+CH3COO]- 302.08813 184.3
[M+Na-2H]- 264.04895 150.2
[M]+ 243.07373 147.6
[M]- 243.07483 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.