CID 5270731

4-amino-5, 6-dihydro-1(2'-deoxy-4-thio-.alpha.-d-erythropentofuranosyl)-1,3,5-triazin-2(1h)-one

Structural Information

Molecular Formula
C8H14N4O3S
SMILES
C1[C@@H]([C@H](S[C@@H]1N2CN=C(NC2=O)N)CO)O
InChI
InChI=1S/C8H14N4O3S/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h4-6,13-14H,1-3H2,(H3,9,10,11,15)/t4-,5+,6-/m0/s1
InChIKey
QSLZXTXTGABORT-JKUQZMGJSA-N
Compound name
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.07866 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08594 153.8
[M+Na]+ 269.06788 160.7
[M-H]- 245.07138 152.3
[M+NH4]+ 264.11248 167.1
[M+K]+ 285.04182 155.9
[M+H-H2O]+ 229.07592 147.0
[M+HCOO]- 291.07686 162.9
[M+CH3COO]- 305.09251 185.0
[M+Na-2H]- 267.05333 151.1
[M]+ 246.07811 147.9
[M]- 246.07921 147.9
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.