CID 483926

2'-deoxy-5-vinyl-4'-thiouridine

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C11H14N2O4S/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h2,4,7-9,14-15H,1,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
XLHPUMFOCIGRBQ-DJLDLDEBSA-N
Compound name
5-ethenyl-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

1
References

0
Patents

270.0674 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 158.3
[M+Na]+ 293.05662 167.8
[M-H]- 269.06012 159.3
[M+NH4]+ 288.10122 172.8
[M+K]+ 309.03056 161.9
[M+H-H2O]+ 253.06466 152.2
[M+HCOO]- 315.06560 170.6
[M+CH3COO]- 329.08125 187.6
[M+Na-2H]- 291.04207 155.8
[M]+ 270.06685 157.7
[M]- 270.06795 157.7
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.