CID 483922

5-cyclopropyl-2'-deoxy-4'-thiouridine

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C1CC1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](S3)CO)O
InChI
InChI=1S/C12H16N2O4S/c15-5-9-8(16)3-10(19-9)14-4-7(6-1-2-6)11(17)13-12(14)18/h4,6,8-10,15-16H,1-3,5H2,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
HTWHBUHWCYXDGV-IVZWLZJFSA-N
Compound name
5-cyclopropyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 159.6
[M+Na]+ 307.07229 170.0
[M-H]- 283.07579 164.2
[M+NH4]+ 302.11689 168.9
[M+K]+ 323.04623 162.8
[M+H-H2O]+ 267.08033 153.5
[M+HCOO]- 329.08127 172.1
[M+CH3COO]- 343.09692 193.0
[M+Na-2H]- 305.05774 157.4
[M]+ 284.08252 161.5
[M]- 284.08362 161.5
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.