CID 5481520

N-[5-fluoro-1-[[(1s)-2-hydroxy-1-sulfanyl-ethoxy]methyl]-2-oxo-pyrimidin-4-yl]acetamide

Structural Information

Molecular Formula
C9H12FN3O4S
SMILES
CC(=O)NC1=NC(=O)N(C=C1F)CO[C@H](CO)S
InChI
InChI=1S/C9H12FN3O4S/c1-5(15)11-8-6(10)2-13(9(16)12-8)4-17-7(18)3-14/h2,7,14,18H,3-4H2,1H3,(H,11,12,15,16)/t7-/m0/s1
InChIKey
FEGLVYVKXVNOHT-ZETCQYMHSA-N
Compound name
N-[5-fluoro-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

277.05325 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06053 155.8
[M+Na]+ 300.04247 164.2
[M-H]- 276.04597 154.7
[M+NH4]+ 295.08707 169.0
[M+K]+ 316.01641 161.2
[M+H-H2O]+ 260.05051 147.5
[M+HCOO]- 322.05145 170.0
[M+CH3COO]- 336.06710 196.9
[M+Na-2H]- 298.02792 156.2
[M]+ 277.05270 159.2
[M]- 277.05380 159.2
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.