CID 455557

Schembl5437126

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H13N3O4S/c1-6(15)11-7-2-3-13(10(16)12-7)8-5-18-9(4-14)17-8/h2-3,8-9,14H,4-5H2,1H3,(H,11,12,15,16)/t8-,9+/m1/s1
InChIKey
NKMKJZRNUUXFOB-BDAKNGLRSA-N
Compound name
N-[1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

271.06268 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 157.9
[M+Na]+ 294.05190 165.9
[M-H]- 270.05540 162.0
[M+NH4]+ 289.09650 171.7
[M+K]+ 310.02584 163.7
[M+H-H2O]+ 254.05994 150.7
[M+HCOO]- 316.06088 172.8
[M+CH3COO]- 330.07653 192.9
[M+Na-2H]- 292.03735 158.4
[M]+ 271.06213 159.7
[M]- 271.06323 159.7
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.