CID 477167

Schembl29399701

Structural Information

Molecular Formula
C11H15N3O5S
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2CS[C@H](O2)COCO
InChI
InChI=1S/C11H15N3O5S/c1-7(16)12-8-2-3-14(11(17)13-8)9-5-20-10(19-9)4-18-6-15/h2-3,9-10,15H,4-6H2,1H3,(H,12,13,16,17)/t9-,10+/m1/s1
InChIKey
LQXMLZSGMIZDTD-ZJUUUORDSA-N
Compound name
N-[1-[(2S,5R)-2-(hydroxymethoxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

301.07324 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08052 164.6
[M+Na]+ 324.06246 171.7
[M-H]- 300.06596 168.4
[M+NH4]+ 319.10706 177.0
[M+K]+ 340.03640 170.0
[M+H-H2O]+ 284.07050 157.0
[M+HCOO]- 346.07144 179.3
[M+CH3COO]- 360.08709 198.2
[M+Na-2H]- 322.04791 164.9
[M]+ 301.07269 168.0
[M]- 301.07379 168.0
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.