CID 3063029

3-(d-ribosyl)-4-hydroxyhexahydropyrimidine-2-thione

Structural Information

Molecular Formula
C9H16N2O5S
SMILES
C1CNC(=S)N(C1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H16N2O5S/c12-3-4-6(14)7(15)8(16-4)11-5(13)1-2-10-9(11)17/h4-8,12-15H,1-3H2,(H,10,17)/t4-,5?,6-,7-,8?/m1/s1
InChIKey
ABHLDPBNSGKFHE-DJAUARBVSA-N
Compound name
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.078 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08528 158.9
[M+Na]+ 287.06722 164.6
[M-H]- 263.07072 156.8
[M+NH4]+ 282.11182 170.6
[M+K]+ 303.04116 160.7
[M+H-H2O]+ 247.07526 153.5
[M+HCOO]- 309.07620 163.5
[M+CH3COO]- 323.09185 182.6
[M+Na-2H]- 285.05267 154.8
[M]+ 264.07745 153.3
[M]- 264.07855 153.3
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.