CID 3063029

99677-77-7

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]+ 265.085276 158.9
[M+Na]+ 287.067218 164.6
[M-H]- 263.070724 156.8
[M+NH4]+ 282.111823 170.6
[M+K]+ 303.041158 160.7
[M+H-H2O]+ 247.075260 153.5
[M+HCOO]- 309.076201 163.5
[M+CH3COO]- 323.091851 182.6
[M+Na-2H]- 285.052666 154.8
[M]+ 264.07745142 153.3
[M]- 264.07854858 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.