CID 506491

Cytidine, 2'-thio-

Structural Information

Molecular Formula
C9H13N3O4S
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)S
InChI
InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(15)11-5)8-7(17)6(14)4(3-13)16-8/h1-2,4,6-8,13-14,17H,3H2,(H2,10,11,15)/t4-,6-,7-,8-/m1/s1
InChIKey
XLIDRQROOQVAKO-XVFCMESISA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

259.06268 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06996 155.0
[M+Na]+ 282.05190 164.6
[M-H]- 258.05540 157.9
[M+NH4]+ 277.09650 168.9
[M+K]+ 298.02584 161.4
[M+H-H2O]+ 242.05994 148.5
[M+HCOO]- 304.06088 168.7
[M+CH3COO]- 318.07653 190.3
[M+Na-2H]- 280.03735 154.2
[M]+ 259.06213 155.8
[M]- 259.06323 155.8
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.