CID 20058

Uridine triacetate

Structural Information

Molecular Formula
C15H18N2O9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1
InChIKey
AUFUWRKPQLGTGF-FMKGYKFTSA-N
Compound name
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

49
References

12826
Patents

370.10123 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10851 174.9
[M+Na]+ 393.09045 182.3
[M-H]- 369.09395 179.1
[M+NH4]+ 388.13505 184.0
[M+K]+ 409.06439 183.0
[M+H-H2O]+ 353.09849 167.3
[M+HCOO]- 415.09943 191.4
[M+CH3COO]- 429.11508 211.9
[M+Na-2H]- 391.07590 172.8
[M]+ 370.10068 181.4
[M]- 370.10178 181.4
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