CID 6482299

Chembl434353

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCCCCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C18H24N2O4/c1-2-3-4-5-6-7-8-9-16-12-15-13-20(14-23-11-10-21)18(22)19-17(15)24-16/h12-13,21H,2-7,10-11,14H2,1H3
InChIKey
ONWCUOXMURCKLN-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-non-1-ynylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1736 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 173.8
[M+Na]+ 355.16282 184.2
[M-H]- 331.16632 172.5
[M+NH4]+ 350.20742 184.6
[M+K]+ 371.13676 178.8
[M+H-H2O]+ 315.17086 159.1
[M+HCOO]- 377.17180 187.6
[M+CH3COO]- 391.18745 211.6
[M+Na-2H]- 353.14827 175.9
[M]+ 332.17305 176.1
[M]- 332.17415 176.1
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.