CID 3001262

3'-azido-2',3'-dideoxy-4-thiouridine

Structural Information

Molecular Formula
C9H11N5O3S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=S)NC2=O)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H11N5O3S/c10-13-12-5-3-8(17-6(5)4-15)14-2-1-7(18)11-9(14)16/h1-2,5-6,8,15H,3-4H2,(H,11,16,18)/t5-,6+,8+/m0/s1
InChIKey
IYJOKUIZNLSIAR-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.05826 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06554 155.7
[M+Na]+ 292.04748 163.7
[M-H]- 268.05098 161.2
[M+NH4]+ 287.09208 169.2
[M+K]+ 308.02142 154.9
[M+H-H2O]+ 252.05552 152.1
[M+HCOO]- 314.05646 175.5
[M+CH3COO]- 328.07211 190.7
[M+Na-2H]- 290.03293 161.0
[M]+ 269.05771 152.4
[M]- 269.05881 152.4
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.