CID 516463

5-propargyl-2'-deoxyuridine

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C#CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H14N2O5/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
PJMASYCONUBNCG-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.09027 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 155.2
[M+Na]+ 289.07949 165.9
[M-H]- 265.08299 154.4
[M+NH4]+ 284.12409 166.0
[M+K]+ 305.05343 161.3
[M+H-H2O]+ 249.08753 141.8
[M+HCOO]- 311.08847 166.0
[M+CH3COO]- 325.10412 195.9
[M+Na-2H]- 287.06494 154.9
[M]+ 266.08972 149.0
[M]- 266.09082 149.0
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.