CID 6438459

5-(2-bromovinyl)-2'-deoxy-4'-thiouridine

Structural Information

Molecular Formula
C11H13BrN2O4S
SMILES
C1C(C(SC1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O
InChI
InChI=1S/C11H13BrN2O4S/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+
InChIKey
MHIWAWLDGNOCRU-OWOJBTEDSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

347.97794 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.98522 165.1
[M+Na]+ 370.96716 165.8
[M+NH4]+ 366.01176 166.7
[M+K]+ 386.94110 167.5
[M-H]- 346.97066 163.0
[M+Na-2H]- 368.95261 164.2
[M]+ 347.97739 163.4
[M]- 347.97849 163.4
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.