CID 3010603

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

Structural Information

Molecular Formula
C21H24N10O9
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C21H24N10O9/c1-9-5-30(19(34)24-17(9)32)15-3-11(26-28-22)13(39-15)7-37-21(36)38-8-14-12(27-29-23)4-16(40-14)31-6-10(2)18(33)25-20(31)35/h5-6,11-16H,3-4,7-8H2,1-2H3,(H,24,32,34)(H,25,33,35)/t11-,12+,13+,14-,15+,16-
InChIKey
DYXYYVUBPYLMSC-ZMLDCZPUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

560.1728 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.18008 226.2
[M+Na]+ 583.16202 228.8
[M-H]- 559.16552 223.1
[M+NH4]+ 578.20662 229.4
[M+K]+ 599.13596 230.3
[M+H-H2O]+ 543.17006 215.9
[M+HCOO]- 605.17100 231.0
[M+CH3COO]- 619.18665 249.4
[M+Na-2H]- 581.14747 254.2
[M]+ 560.17225 264.4
[M]- 560.17335 264.4
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.