CID 5481515

N-[1-((s)-2-hydroxy-1-mercapto-ethoxymethyl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-acetamide

Structural Information

Molecular Formula
C9H13N3O4S
SMILES
CC(=O)NC1=NC(=O)N(C=C1)CO[C@H](CO)S
InChI
InChI=1S/C9H13N3O4S/c1-6(14)10-7-2-3-12(9(15)11-7)5-16-8(17)4-13/h2-3,8,13,17H,4-5H2,1H3,(H,10,11,14,15)/t8-/m0/s1
InChIKey
SLGAIRFPERJJBL-QMMMGPOBSA-N
Compound name
N-[1-[[(1S)-2-hydroxy-1-sulfanylethoxy]methyl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.06268 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06996 154.1
[M+Na]+ 282.05190 161.5
[M-H]- 258.05540 154.0
[M+NH4]+ 277.09650 167.7
[M+K]+ 298.02584 159.0
[M+H-H2O]+ 242.05994 146.5
[M+HCOO]- 304.06088 169.4
[M+CH3COO]- 318.07653 193.0
[M+Na-2H]- 280.03735 155.6
[M]+ 259.06213 158.1
[M]- 259.06323 158.1
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.