CID 464743

181507-37-9

Structural Information

Molecular Formula
C10H13FN4O3S
SMILES
C1C(=O)N(C(S1)CO)CCN2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C10H13FN4O3S/c11-6-3-14(10(18)13-9(6)12)1-2-15-7(17)5-19-8(15)4-16/h3,8,16H,1-2,4-5H2,(H2,12,13,18)
InChIKey
KIBYNOSVQCZDBT-UHFFFAOYSA-N
Compound name
3-[2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.06924 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07652 160.9
[M+Na]+ 311.05846 170.9
[M-H]- 287.06196 161.6
[M+NH4]+ 306.10306 174.2
[M+K]+ 327.03240 165.7
[M+H-H2O]+ 271.06650 152.5
[M+HCOO]- 333.06744 174.3
[M+CH3COO]- 347.08309 197.8
[M+Na-2H]- 309.04391 158.6
[M]+ 288.06869 160.7
[M]- 288.06979 160.7
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

patents stripe