CID 495591

Nsc661176

Structural Information

Molecular Formula
C16H19N3O9
SMILES
CC(=O)O[C@H]1[C@@H](O[C@@H]([C@H]1OC(=O)C)N2C=CC(=O)NC2=O)CN3CCOC3=O
InChI
InChI=1S/C16H19N3O9/c1-8(20)26-12-10(7-18-5-6-25-16(18)24)28-14(13(12)27-9(2)21)19-4-3-11(22)17-15(19)23/h3-4,10,12-14H,5-7H2,1-2H3,(H,17,22,23)/t10-,12-,13-,14-/m0/s1
InChIKey
UFGPJVDWFPWGOX-PYJNHQTQSA-N
Compound name
[(2S,3S,4S,5S)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.11212 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.11940 183.1
[M+Na]+ 420.10134 189.9
[M-H]- 396.10484 190.0
[M+NH4]+ 415.14594 189.8
[M+K]+ 436.07528 190.7
[M+H-H2O]+ 380.10938 175.7
[M+HCOO]- 442.11032 197.0
[M+CH3COO]- 456.12597 216.4
[M+Na-2H]- 418.08679 178.8
[M]+ 397.11157 187.5
[M]- 397.11267 187.5
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.