CID 15957674

Chembl223209

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)(C)C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C15H20N2O5/c1-15(2,3)5-4-9-7-17(14(21)16-13(9)20)12-6-10(19)11(8-18)22-12/h7,10-12,18-19H,6,8H2,1-3H3,(H,16,20,21)/t10-,11+,12+/m0/s1
InChIKey
KMHRCSGUICDEBP-QJPTWQEYSA-N
Compound name
5-(3,3-dimethylbut-1-ynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.1372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.2
[M+Na]+ 331.12642 180.9
[M-H]- 307.12992 170.3
[M+NH4]+ 326.17102 180.6
[M+K]+ 347.10036 176.6
[M+H-H2O]+ 291.13446 158.1
[M+HCOO]- 353.13540 179.6
[M+CH3COO]- 367.15105 203.2
[M+Na-2H]- 329.11187 170.2
[M]+ 308.13665 165.2
[M]- 308.13775 165.2
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.