CID 486642

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2,5-dioxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H16N6O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)N3C(=O)CCC3=O)N=[N+]=[N-]
InChI
InChI=1S/C15H16N6O7/c1-7-5-20(14(25)17-13(7)24)12-4-8(18-19-16)9(28-12)6-27-15(26)21-10(22)2-3-11(21)23/h5,8-9,12H,2-4,6H2,1H3,(H,17,24,25)/t8-,9+,12+/m0/s1
InChIKey
RMHCIUQRIFTQEU-YGOYTEALSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,5-dioxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.10803 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11531 186.7
[M+Na]+ 415.09725 192.8
[M-H]- 391.10075 195.8
[M+NH4]+ 410.14185 195.0
[M+K]+ 431.07119 186.1
[M+H-H2O]+ 375.10529 181.8
[M+HCOO]- 437.10623 208.8
[M+CH3COO]- 451.12188 217.4
[M+Na-2H]- 413.08270 188.7
[M]+ 392.10748 185.0
[M]- 392.10858 185.0
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

No patent data available for this compound.