CID 5273976

1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrothiophen-2-yl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11IN2O4S
SMILES
C=C1[C@@H]([C@H](S[C@@H]1N2C=C(C(=O)NC2=O)I)CO)O
InChI
InChI=1S/C10H11IN2O4S/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1
InChIKey
YTRGBGVGOYHCHL-FJXKBIBVSA-N
Compound name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.94843 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.95571 165.3
[M+Na]+ 404.93765 168.5
[M-H]- 380.94115 159.9
[M+NH4]+ 399.98225 175.1
[M+K]+ 420.91159 168.6
[M+H-H2O]+ 364.94569 155.9
[M+HCOO]- 426.94663 173.1
[M+CH3COO]- 440.96228 196.9
[M+Na-2H]- 402.92310 151.0
[M]+ 381.94788 162.3
[M]- 381.94898 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.