CID 16072419

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-[2-(pyridine-4-carbonyl)hydrazino]acetate

Structural Information

Molecular Formula
C18H20N8O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CNNC(=O)C3=CC=NC=C3)N=[N+]=[N-]
InChI
InChI=1S/C18H20N8O6/c1-10-8-26(18(30)22-16(10)28)14-6-12(23-25-19)13(32-14)9-31-15(27)7-21-24-17(29)11-2-4-20-5-3-11/h2-5,8,12-14,21H,6-7,9H2,1H3,(H,24,29)(H,22,28,30)/t12-,13+,14+/m0/s1
InChIKey
GOLSTQKOYZUINS-BFHYXJOUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[2-(pyridine-4-carbonyl)hydrazinyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.15057 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15785 198.2
[M+Na]+ 467.13979 201.1
[M-H]- 443.14329 206.6
[M+NH4]+ 462.18439 201.4
[M+K]+ 483.11373 194.0
[M+H-H2O]+ 427.14783 190.2
[M+HCOO]- 489.14877 222.0
[M+CH3COO]- 503.16442 232.8
[M+Na-2H]- 465.12524 204.6
[M]+ 444.15002 196.0
[M]- 444.15112 196.0
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.