CID 495590

Nsc661175

Structural Information

Molecular Formula
C17H21N3O9
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CN3CCOC3=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C17H21N3O9/c1-8-6-20(16(24)18-14(8)23)15-13(28-10(3)22)12(27-9(2)21)11(29-15)7-19-4-5-26-17(19)25/h6,11-13,15H,4-5,7H2,1-3H3,(H,18,23,24)/t11-,12-,13-,15-/m0/s1
InChIKey
DQDMCJVPIZMNJG-ABHRYQDASA-N
Compound name
[(2S,3S,4S,5S)-4-acetyloxy-5-(5-methyl-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

411.12778 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13506 187.7
[M+Na]+ 434.11700 194.9
[M-H]- 410.12050 194.8
[M+NH4]+ 429.16160 194.1
[M+K]+ 450.09094 195.4
[M+H-H2O]+ 394.12504 180.5
[M+HCOO]- 456.12598 201.2
[M+CH3COO]- 470.14163 220.8
[M+Na-2H]- 432.10245 182.3
[M]+ 411.12723 192.9
[M]- 411.12833 192.9
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.