CID 495790

Nsc668357

Structural Information

Molecular Formula
C14H18N2O9
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@H](O2)COC(=O)OC)OC(=O)OC
InChI
InChI=1S/C14H18N2O9/c1-7-5-16(12(18)15-11(7)17)10-4-8(25-14(20)22-3)9(24-10)6-23-13(19)21-2/h5,8-10H,4,6H2,1-3H3,(H,15,17,18)/t8-,9-,10+/m0/s1
InChIKey
JPRPTQMTTDGMJZ-LPEHRKFASA-N
Compound name
[(2S,3S,5R)-3-methoxycarbonyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10123 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10851 172.4
[M+Na]+ 381.09045 180.3
[M-H]- 357.09395 176.8
[M+NH4]+ 376.13505 182.3
[M+K]+ 397.06439 181.2
[M+H-H2O]+ 341.09849 164.7
[M+HCOO]- 403.09943 190.1
[M+CH3COO]- 417.11508 208.0
[M+Na-2H]- 379.07590 171.8
[M]+ 358.10068 179.8
[M]- 358.10178 179.8
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.