CID 492103

Chembl3143045

Structural Information

Molecular Formula
C16H20N2O5
SMILES
C=CCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C16H20N2O5/c1-2-3-4-5-11-6-10-8-18(16(21)17-15(10)22-11)14-7-12(20)13(9-19)23-14/h2,6,8,12-14,19-20H,1,3-5,7,9H2/t12-,13+,14+/m0/s1
InChIKey
REUWWECBFMTZLM-BFHYXJOUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-pent-4-enylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 172.8
[M+Na]+ 343.12642 182.3
[M-H]- 319.12992 177.4
[M+NH4]+ 338.17102 185.5
[M+K]+ 359.10036 179.5
[M+H-H2O]+ 303.13446 166.3
[M+HCOO]- 365.13540 190.0
[M+CH3COO]- 379.15105 202.2
[M+Na-2H]- 341.11187 173.3
[M]+ 320.13665 177.8
[M]- 320.13775 177.8
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.