CID 496169

Nsc680832

Structural Information

Molecular Formula
C14H15N3O7
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C(=CC(=O)NC2=O)C#N)OC(=O)C
InChI
InChI=1S/C14H15N3O7/c1-7(18)22-6-11-10(23-8(2)19)4-13(24-11)17-9(5-15)3-12(20)16-14(17)21/h3,10-11,13H,4,6H2,1-2H3,(H,16,20,21)/t10-,11+,13+/m0/s1
InChIKey
ZBTRHDRHWZYQKV-DMDPSCGWSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-(6-cyano-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.091 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09828 168.1
[M+Na]+ 360.08022 177.6
[M-H]- 336.08372 170.6
[M+NH4]+ 355.12482 177.2
[M+K]+ 376.05416 176.2
[M+H-H2O]+ 320.08826 153.4
[M+HCOO]- 382.08920 182.0
[M+CH3COO]- 396.10485 215.5
[M+Na-2H]- 358.06567 166.9
[M]+ 337.09045 166.6
[M]- 337.09155 166.6
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.