CID 5901

6-azauridine

Structural Information

Molecular Formula
C8H11N3O6
SMILES
C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1
InChIKey
WYXSYVWAUAUWLD-SHUUEZRQSA-N
Compound name
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

336
References

43924
Patents

245.06479 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07207 149.8
[M+Na]+ 268.05401 159.4
[M-H]- 244.05751 149.2
[M+NH4]+ 263.09861 161.1
[M+K]+ 284.02795 156.7
[M+H-H2O]+ 228.06205 142.6
[M+HCOO]- 290.06299 164.4
[M+CH3COO]- 304.07864 181.5
[M+Na-2H]- 266.03946 151.6
[M]+ 245.06424 148.6
[M]- 245.06534 148.6
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