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

literature stripe

Patent stripe

patents stripe