CID 477172

(+/-)-cis-n4-acetyl-1-[2-(hydroxymethoxy)methyl-1,3-oxathiolan-5-yl]-fluorocytosine

Structural Information

Molecular Formula
C11H14FN3O5S
SMILES
CC(=O)NC1=NC(=O)N(C=C1F)[C@H]2CS[C@H](O2)COCO
InChI
InChI=1S/C11H14FN3O5S/c1-6(17)13-10-7(12)2-15(11(18)14-10)8-4-21-9(20-8)3-19-5-16/h2,8-9,16H,3-5H2,1H3,(H,13,14,17,18)/t8-,9+/m1/s1
InChIKey
FWTAEHIUZLWDTI-BDAKNGLRSA-N
Compound name
N-[5-fluoro-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

0
Patents

319.0638 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07108 166.9
[M+Na]+ 342.05302 174.9
[M-H]- 318.05652 169.6
[M+NH4]+ 337.09762 178.7
[M+K]+ 358.02696 172.7
[M+H-H2O]+ 302.06106 158.6
[M+HCOO]- 364.06200 180.5
[M+CH3COO]- 378.07765 202.1
[M+Na-2H]- 340.03847 166.0
[M]+ 319.06325 169.7
[M]- 319.06435 169.7
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.