CID 483930

5-propynyl-2'-deoxy-4'-thiouridine

Structural Information

Molecular Formula
C12H14N2O4S
SMILES
C#CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C12H14N2O4S/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h1,5,8-10,15-16H,3-4,6H2,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
BCMUPAHEASWJIR-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0674 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07468 165.0
[M+Na]+ 305.05662 176.0
[M-H]- 281.06012 164.5
[M+NH4]+ 300.10122 177.2
[M+K]+ 321.03056 169.8
[M+H-H2O]+ 265.06466 152.6
[M+HCOO]- 327.06560 171.9
[M+CH3COO]- 341.08125 196.9
[M+Na-2H]- 303.04207 161.3
[M]+ 282.06685 159.3
[M]- 282.06795 159.3
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.