CID 2802520

2-thio-6-azauridine

Structural Information

Molecular Formula
C8H11N3O5S
SMILES
C1=NN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)/t3-,5-,6-,7-/m1/s1
InChIKey
TVCBDTCUOVDLNZ-SHUUEZRQSA-N
Compound name
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

289
Patents

261.04193 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04921 154.4
[M+Na]+ 284.03115 164.5
[M-H]- 260.03465 153.9
[M+NH4]+ 279.07575 165.9
[M+K]+ 300.00509 160.1
[M+H-H2O]+ 244.03919 148.2
[M+HCOO]- 306.04013 164.2
[M+CH3COO]- 320.05578 182.8
[M+Na-2H]- 282.01660 153.3
[M]+ 261.04138 154.1
[M]- 261.04248 154.1
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.