CID 3084093

11113-80-7

Structural Information

Molecular Formula
C11H13N3O8
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C=O)N)O)O)C(=O)O
InChI
InChI=1S/C11H13N3O8/c12-4(2-15)7-5(16)6(17)9(22-7)14-1-3(10(19)20)8(18)13-11(14)21/h1-2,4-7,9,16-17H,12H2,(H,19,20)(H,13,18,21)/t4?,5-,6+,7+,9+/m0/s1
InChIKey
YEBIHIICWDDQOL-YBHNRIQQSA-N
Compound name
1-[(2R,3R,4S,5R)-5-(1-amino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

51
References

16547
Patents

315.07025 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07753 167.1
[M+Na]+ 338.05947 173.5
[M+NH4]+ 333.10407 167.7
[M+K]+ 354.03341 177.0
[M-H]- 314.06297 164.5
[M+Na-2H]- 336.04492 165.0
[M]+ 315.06970 166.2
[M]- 315.07080 166.2
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