CID 10037425

2'-deoxy-4'-thiocytidine

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C9H13N3O3S/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
InChIKey
MOMUJZRKXYLWMH-SHYZEUOFSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

169
Patents

243.06776 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07504 152.0
[M+Na]+ 266.05698 161.4
[M+NH4]+ 261.10158 158.2
[M+K]+ 282.03092 157.6
[M-H]- 242.06048 152.9
[M+Na-2H]- 264.04243 155.1
[M]+ 243.06721 153.6
[M]- 243.06831 153.6
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