CID 3006933

Chembl3302603

Structural Information

Molecular Formula
C11H17N5O5
SMILES
C1C(CN=C(N1)C2=NN(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C11H17N5O5/c17-3-6-7(19)8(20)11(21-6)16-4-14-10(15-16)9-12-1-5(18)2-13-9/h4-8,11,17-20H,1-3H2,(H,12,13)/t6-,7-,8-,11-/m1/s1
InChIKey
CIUGSIWIXGXLQZ-KCGFPETGSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.12296 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13024 168.2
[M+Na]+ 322.11218 174.6
[M-H]- 298.11568 166.7
[M+NH4]+ 317.15678 175.3
[M+K]+ 338.08612 171.1
[M+H-H2O]+ 282.12022 159.5
[M+HCOO]- 344.12116 176.5
[M+CH3COO]- 358.13681 175.8
[M+Na-2H]- 320.09763 165.1
[M]+ 299.12241 163.0
[M]- 299.12351 163.0
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.