CID 475575

1-(2'-deoxy-4'-thio-.beta.-d-erythro-pentofuranosyl)-(3-n-ethyl-6-azauracil)

Structural Information

Molecular Formula
C10H15N3O4S
SMILES
CCN1C(=O)C=NN(C1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C10H15N3O4S/c1-2-12-8(16)4-11-13(10(12)17)9-3-6(15)7(5-14)18-9/h4,6-7,9,14-15H,2-3,5H2,1H3/t6-,7+,9+/m0/s1
InChIKey
KKWCNBURRZYDSO-LKEWCRSYSA-N
Compound name
4-ethyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.07834 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08562 158.7
[M+Na]+ 296.06756 168.9
[M-H]- 272.07106 160.0
[M+NH4]+ 291.11216 172.6
[M+K]+ 312.04150 164.5
[M+H-H2O]+ 256.07560 151.8
[M+HCOO]- 318.07654 171.5
[M+CH3COO]- 332.09219 190.6
[M+Na-2H]- 294.05301 156.9
[M]+ 273.07779 160.8
[M]- 273.07889 160.8
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.