CID 480265

84558-94-1

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CC#CC1=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/h5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
HFJMJLXCBVKXNY-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1530
Patents

266.09027 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 155.6
[M+Na]+ 289.07949 166.4
[M-H]- 265.08299 154.9
[M+NH4]+ 284.12409 166.5
[M+K]+ 305.05343 161.8
[M+H-H2O]+ 249.08753 142.3
[M+HCOO]- 311.08847 166.4
[M+CH3COO]- 325.10412 195.3
[M+Na-2H]- 287.06494 155.3
[M]+ 266.08972 149.3
[M]- 266.09082 149.3
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.