CID 488966

Acetamide, n-[5-fluoro-1,2-dihydro-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-4-pyrimidinyl]-

Structural Information

Molecular Formula
C10H12FN3O4S
SMILES
CC(=O)NC1=NC(=O)N(C=C1F)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H12FN3O4S/c1-5(16)12-9-6(11)2-14(10(17)13-9)7-4-19-8(3-15)18-7/h2,7-8,15H,3-4H2,1H3,(H,12,13,16,17)/t7-,8+/m1/s1
InChIKey
WKCMPPOKGOSEMH-SFYZADRCSA-N
Compound name
N-[5-fluoro-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

0
References

0
Patents

289.05325 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06053 160.2
[M+Na]+ 312.04247 169.0
[M-H]- 288.04597 163.2
[M+NH4]+ 307.08707 173.5
[M+K]+ 328.01641 166.4
[M+H-H2O]+ 272.05051 152.2
[M+HCOO]- 334.05145 173.9
[M+CH3COO]- 348.06710 196.9
[M+Na-2H]- 310.02792 159.5
[M]+ 289.05270 161.3
[M]- 289.05380 161.3
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.