CID 489570

Chembl154937

Structural Information

Molecular Formula
C9H11N5O3S
SMILES
C1[C@@H](S[C@@H]([C@H]1N=[N+]=[N-])N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H11N5O3S/c10-13-12-6-3-5(4-15)18-8(6)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6+,8+/m1/s1
InChIKey
MTLMZZHJONFEOU-CHKWXVPMSA-N
Compound name
1-[(2S,3S,5R)-3-azido-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.05826 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06554 154.0
[M+Na]+ 292.04748 161.8
[M-H]- 268.05098 158.9
[M+NH4]+ 287.09208 168.8
[M+K]+ 308.02142 152.3
[M+H-H2O]+ 252.05552 150.4
[M+HCOO]- 314.05646 174.7
[M+CH3COO]- 328.07211 190.5
[M+Na-2H]- 290.03293 158.9
[M]+ 269.05771 150.2
[M]- 269.05881 150.2
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.