CID 488944

6-methyl-1-(4-thio-.alpha.,l-lyxofuranosyl)uracil

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@@H](S2)CO)O)O
InChI
InChI=1S/C10H14N2O5S/c1-4-2-6(14)11-10(17)12(4)9-8(16)7(15)5(3-13)18-9/h2,5,7-9,13,15-16H,3H2,1H3,(H,11,14,17)/t5-,7+,8+,9+/m0/s1
InChIKey
IZFFPBQNDZBUIL-KDBVAPGDSA-N
Compound name
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.06235 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 157.8
[M+Na]+ 297.05157 167.5
[M-H]- 273.05507 157.9
[M+NH4]+ 292.09617 171.6
[M+K]+ 313.02551 162.2
[M+H-H2O]+ 257.05961 152.2
[M+HCOO]- 319.06055 168.9
[M+CH3COO]- 333.07620 186.9
[M+Na-2H]- 295.03702 154.9
[M]+ 274.06180 157.6
[M]- 274.06290 157.6
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.