CID 5273981

2'-deoxy-5-(t-butyl)-6-azauridine

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CC(C)(C)C1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H19N3O5/c1-12(2,3)9-10(18)13-11(19)15(14-9)8-4-6(17)7(5-16)20-8/h6-8,16-17H,4-5H2,1-3H3,(H,13,18,19)/t6-,7+,8+/m0/s1
InChIKey
OUVZOJKUHOZIGY-XLPZGREQSA-N
Compound name
6-tert-butyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.13248 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 165.5
[M+Na]+ 308.12170 174.5
[M-H]- 284.12520 166.0
[M+NH4]+ 303.16630 176.3
[M+K]+ 324.09564 171.7
[M+H-H2O]+ 268.12974 158.5
[M+HCOO]- 330.13068 178.6
[M+CH3COO]- 344.14633 193.0
[M+Na-2H]- 306.10715 166.8
[M]+ 285.13193 165.5
[M]- 285.13303 165.5
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.