CID 5274247

Chembl191102

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C14H20N2O4/c1-2-3-4-5-12-8-11-9-16(10-19-7-6-17)14(18)15-13(11)20-12/h8-9,17H,2-7,10H2,1H3
InChIKey
ZBYQRLMJRTZJDO-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-pentylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 162.9
[M+Na]+ 303.13152 172.8
[M-H]- 279.13502 164.5
[M+NH4]+ 298.17612 177.7
[M+K]+ 319.10546 170.3
[M+H-H2O]+ 263.13956 155.3
[M+HCOO]- 325.14050 183.8
[M+CH3COO]- 339.15615 197.2
[M+Na-2H]- 301.11697 168.1
[M]+ 280.14175 171.5
[M]- 280.14285 171.5
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.