CID 72184

Azt-cds

Structural Information

Molecular Formula
C17H20N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CN(C=CC3)C)N=[N+]=[N-]
InChI
InChI=1S/C17H20N6O5/c1-10-7-23(17(26)19-15(10)24)14-6-12(20-21-18)13(28-14)9-27-16(25)11-4-3-5-22(2)8-11/h3,5,7-8,12-14H,4,6,9H2,1-2H3,(H,19,24,26)/t12-,13+,14+/m0/s1
InChIKey
XUUPZVLCORYPPM-BFHYXJOUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

168
Patents

388.1495 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15678 190.7
[M+Na]+ 411.13872 196.5
[M-H]- 387.14222 199.1
[M+NH4]+ 406.18332 197.5
[M+K]+ 427.11266 188.6
[M+H-H2O]+ 371.14676 183.9
[M+HCOO]- 433.14770 212.2
[M+CH3COO]- 447.16335 219.3
[M+Na-2H]- 409.12417 194.5
[M]+ 388.14895 188.8
[M]- 388.15005 188.8
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.