CID 10020120

86163-30-6

Structural Information

Molecular Formula
C14H16N2O8
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C=O)OC(=O)C
InChI
InChI=1S/C14H16N2O8/c1-7(18)22-6-11-10(23-8(2)19)3-12(24-11)16-4-9(5-17)13(20)15-14(16)21/h4-5,10-12H,3,6H2,1-2H3,(H,15,20,21)/t10-,11+,12+/m0/s1
InChIKey
RWCIRYJIAIANQL-QJPTWQEYSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

340.09067 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09795 169.0
[M+Na]+ 363.07989 177.3
[M-H]- 339.08339 173.3
[M+NH4]+ 358.12449 179.5
[M+K]+ 379.05383 176.9
[M+H-H2O]+ 323.08793 161.4
[M+HCOO]- 385.08887 186.7
[M+CH3COO]- 399.10452 206.2
[M+Na-2H]- 361.06534 168.1
[M]+ 340.09012 174.4
[M]- 340.09122 174.4
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