CID 16574

Azaribine

Structural Information

Molecular Formula
C14H17N3O9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1
InChIKey
QQOBRRFOVWGIMD-OJAKKHQRSA-N
Compound name
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

4186
Patents

371.09647 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10375 178.8
[M+Na]+ 394.08569 186.5
[M+NH4]+ 389.13029 179.0
[M+K]+ 410.05963 189.3
[M-H]- 370.08919 175.8
[M+Na-2H]- 392.07114 177.7
[M]+ 371.09592 178.2
[M]- 371.09702 178.2
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

patents stripe